data_2aga_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 2aga _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.5 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.413 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.9 -13.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 5' ' ' SER . 21.1 mm-40 -52.81 -33.72 50.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.07 58.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 8.1 mt -87.43 123.67 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 156.52 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 26' ' ' ASN . 11.0 t-160 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 4.0 pp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.505 ' SG ' ' CD1' ' A' ' 18' ' ' LEU . 29.4 m -115.02 174.55 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.736 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.4 -24.05 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.531 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.1 tp-100 -46.39 -22.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.465 ' CE1' HD22 ' A' ' 26' ' ' ASN . 31.0 t60 -69.95 -52.14 26.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 139' ' ' ASN . 1.8 m -61.52 -36.5 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 33.1 tp -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 16.9 m120 -61.22 -42.98 99.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.543 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 38.5 m-20 -68.91 -40.54 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.44 -46.95 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.679 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.53 -9.06 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.94 -5.35 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.731 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.24 131.56 2.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -56.19 -108.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.731 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.2 m-85 75.04 13.53 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -128.89 147.54 50.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 2.3 m -111.99 167.33 9.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.621 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -32.73 5.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.11 -41.96 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.4 mt-10 -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.531 ' CD1' ' HB2' ' A' ' 21' ' ' GLN . 1.4 mt -56.73 -45.12 82.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.595 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -64.32 -43.31 95.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -40.59 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.6 -44.33 98.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -62.46 -47.14 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.9 m170 -62.17 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 6.3 mm-40 -62.37 -34.53 76.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.37 -46.5 86.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.19 -44.43 95.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -72.05 -40.47 68.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 51' ' ' MET . 8.8 mt-10 -74.33 -53.68 9.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.3 ttp180 -70.17 -48.84 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.6 ptm -72.44 -45.85 57.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.32 -50.08 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.529 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 1.8 ptm -72.15 -42.77 65.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.3 -48.69 74.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -63.18 -60.61 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.17 -13.31 3.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.644 ' C ' HG11 ' A' ' 58' ' ' VAL . . . 99.22 -20.61 49.33 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.8 p 49.65 7.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.633 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t 35.92 20.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 65.64 -50.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 1.8 mm-40 -53.43 -47.56 69.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 7.6 m-20 -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.72 -53.1 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -27.28 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -69.79 -49.61 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.521 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.27 -41.74 33.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.0 mt -40.14 -28.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' C ' ' A' ' 66' ' ' PHE . 21.3 mm-40 -53.14 -26.74 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -63.99 164.68 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.0 129.37 12.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -84.85 -151.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.97 2.17 84.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 74' ' ' MET . 8.2 m-20 62.8 -72.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLY . 22.9 ptm 177.55 165.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.0 t0 -110.32 -178.51 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.43 21.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -98.48 3.64 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.73 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -164.76 141.92 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 36.8 m-85 -119.5 158.64 25.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.511 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.36 139.47 57.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.027 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.702 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.34 -27.25 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.5 mp0 -61.75 -24.69 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.519 HG13 ' CB ' ' A' ' 42' ' ' ALA . 3.7 m -60.81 -39.03 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -65.3 -38.33 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 36.0 t -61.65 -45.33 94.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.672 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -61.83 -42.01 98.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.585 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -71.02 -34.63 71.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -65.58 -49.99 66.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -57.36 -47.71 80.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 88' ' ' ALA . 9.3 m -70.7 -19.96 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -83.74 -20.77 32.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.32 -42.1 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.679 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.4 pt? -90.23 170.48 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 171' ' ' LYS . 8.8 pt-20 -127.03 154.45 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.74 125.77 44.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.498 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.2 pp -136.22 159.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.23 141.64 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.512 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.6 t80 -93.31 -43.47 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.691 HD22 ' N ' ' A' ' 166' ' ' SER . 16.2 m-80 -31.62 -45.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.604 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.6 t -21.65 106.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.48 20.73 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.7 mt-10 -70.67 -47.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.688 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -69.53 -47.01 65.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -54.91 -47.1 74.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -64.72 -41.69 95.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.767 ' O ' ' HG2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.41 -23.43 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 1.2 mmt-85 127.78 64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.688 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.04 117.82 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -107.5 153.93 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.606 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.03 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.419 HG21 ' O ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -82.09 -23.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 2.8 m-20 -57.45 -20.13 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -87.63 -174.12 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 174' ' ' LEU . 0.0 OUTLIER -120.38 -29.84 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.9 t -137.95 121.87 17.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.62 ' CE2' HD21 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -120.68 153.2 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.514 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.3 mt -126.9 141.02 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.3 146.71 49.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.5 OUTLIER -130.01 125.89 36.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -110.78 108.28 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 53.95 -84.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -109.11 -68.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.349 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -63.68 144.86 56.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.592 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.736 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 41.7 p-90 -128.7 164.38 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -129.35 162.12 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.82 128.9 56.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 117' ' ' PHE . 18.9 t -109.21 127.41 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 21.8 ttp-105 -123.83 136.74 54.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -80.73 104.02 10.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.597 HD23 ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -98.57 122.29 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 69.2 -97.83 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -136.06 16.38 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.492 HE22 ' N ' ' A' ' 150' ' ' ASP . 7.9 mm100 -137.34 160.36 39.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CG ' ' HG ' ' A' ' 153' ' ' LEU . 89.1 m95 -89.44 144.14 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.597 ' CD1' HD23 ' A' ' 131' ' ' LEU . 2.4 m-85 -134.2 124.41 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.41 137.85 38.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.96 131.19 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.421 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 26.9 t-20 176.68 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.4 ' N ' HD21 ' A' ' 142' ' ' LEU . 11.6 p 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.559 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.4 -23.3 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.459 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.73 -2.34 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.82 25.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 146.52 -169.42 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HB2' ' CD2' ' A' ' 136' ' ' PHE . 18.2 Cg_endo -75.05 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.45 102.86 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -62.2 125.28 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.462 ' O ' ' NE2' ' A' ' 134' ' ' GLN . 90.4 mt -118.4 119.93 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.44 154.18 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.492 ' N ' HE22 ' A' ' 134' ' ' GLN . 0.6 OUTLIER -58.73 -34.56 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.4 -9.76 58.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -96.89 -43.9 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.452 ' HG ' ' CG ' ' A' ' 135' ' ' TRP . 1.1 tm? -54.37 -47.96 72.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.569 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.22 -39.44 94.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -64.5 -51.67 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.62 HD21 ' CE2' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -58.17 -34.51 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.5 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.569 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -61.33 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -67.01 -36.39 82.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.2 mt-30 -62.73 -46.54 87.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.85 -28.49 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -29.42 61.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.31 -98.81 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.706 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 106.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.962 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.691 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -167.72 70.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 161' ' ' GLN . 4.1 mt -134.25 136.99 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -122.26 127.65 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.538 HG22 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -91.9 120.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 94' ' ' LEU . 4.4 t -90.11 111.25 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.451 ' HG3' ' CG ' ' A' ' 95' ' ' GLU . 11.9 ptpt -117.41 144.81 44.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 130.99 -153.81 20.5 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.426 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.8 m-20 -92.75 119.36 32.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 1.6 tm? -108.41 125.64 31.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.96 157.12 43.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -93.14 151.33 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 179' ' ' ALA . 21.4 p -131.06 -165.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 3.8 mm-40 -53.02 -42.54 65.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.491 ' CB ' HD11 ' A' ' 131' ' ' LEU . . . -55.6 -39.27 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.9 t70 -58.36 -35.11 71.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 5' ' ' SER . 17.7 mt -61.77 -30.8 71.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 184' ' ' GLN . 0.4 OUTLIER -57.01 -44.19 82.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.49 ' HB2' ' CD1' ' A' ' 183' ' ' LEU . 4.3 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 182' ' ' LEU . 26.3 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.572 ' CE ' ' CE2' ' A' ' 136' ' ' PHE . 1.8 ttt -53.72 -13.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -53.84 -35.19 61.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -151.67 59.3 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 4.8 mt -92.69 124.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 160.63 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.62 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 10.1 t-160 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.534 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.599 ' CB ' ' CD2' ' A' ' 80' ' ' PHE . 85.5 m -115.06 174.36 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.93 -25.88 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.3 -25.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -61.74 -50.21 73.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 138' ' ' LEU . 2.2 m -68.26 -39.67 82.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD2' HG13 ' A' ' 85' ' ' ILE . 23.0 tp -61.94 -45.89 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.631 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 15.4 m120 -59.42 -44.72 92.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.2 m120 -72.09 -28.14 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.483 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -47.42 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -72.18 -24.44 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 tp-100 68.0 112.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.659 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 102.11 102.46 2.64 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 101.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.659 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 6.3 m-30 -116.9 -45.01 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CE1' ' ND2' ' A' ' 25' ' ' ASN . 2.8 p90 -100.99 154.96 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.546 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -106.75 -178.76 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.618 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.86 -41.82 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 5.1 mt-10 -58.26 -38.99 78.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.608 ' HG ' ' CG2' ' A' ' 84' ' ' VAL . 2.6 tp -59.56 -45.66 91.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -58.8 -46.32 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -33.65 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.0 -46.9 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -55.91 -47.91 76.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.6 m170 -61.79 -48.0 82.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.675 ' O ' ' N ' ' A' ' 48' ' ' GLU . 62.4 mt-30 -65.23 -33.79 76.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.42 -48.02 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -61.57 -45.13 95.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 mt-10 -74.0 -46.7 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.675 ' N ' ' O ' ' A' ' 44' ' ' GLN . 26.5 tt0 -68.43 -52.24 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.3 tp10 -59.53 -41.66 90.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.0 ttp180 -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.2 ptm -73.43 -42.63 61.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.8 tpp180 -59.42 -50.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 5.9 ptm -71.38 -42.11 68.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.32 -32.02 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.51 -7.54 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 86.67 51.96 3.29 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.63 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 p -40.33 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.63 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.6 t 52.72 14.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 58' ' ' VAL . 7.4 t 77.13 -49.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.3 -47.43 69.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 49.8 m-20 -61.85 -33.3 73.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.53 -53.64 44.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.554 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.2 mmm180 -67.09 -27.2 67.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -50.39 42.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.32 -44.52 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.502 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 11.5 mt -35.26 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 23.1 mm-40 -47.41 -22.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -76.32 164.45 59.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.02 132.23 15.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.6 p -102.59 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 90.08 12.32 62.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.2 m-20 64.76 -73.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.5 ptm 174.02 176.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -110.79 -176.72 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.51 13.74 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -87.99 -11.45 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 123.53 43.92 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -155.17 126.14 7.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 41.6 m-85 -102.22 159.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.637 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.39 147.93 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.699 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.55 -27.58 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.501 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.36 -25.03 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.637 ' CG2' ' O ' ' A' ' 81' ' ' SER . 4.8 m -61.17 -40.27 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.531 ' CG2' ' CD2' ' A' ' 89' ' ' LEU . 1.2 mp -62.37 -39.96 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.641 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.0 m-80 -61.25 -39.84 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 92' ' ' TRP . . . -72.61 -34.57 67.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.716 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.47 -50.24 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.17 -46.93 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 88' ' ' ALA . 4.4 m -70.93 -21.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.616 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.9 m95 -82.95 -20.73 34.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.63 -39.71 1.83 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.716 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -90.55 169.21 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.4 pt-20 -131.71 155.12 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.509 ' CD1' ' HB3' ' A' ' 168' ' ' PHE . 12.0 tp -124.9 136.58 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 171' ' ' LYS . 1.5 pp -138.57 159.06 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.63 123.86 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' C ' ' A' ' 100' ' ' ASN . 58.3 t80 -72.39 -51.1 21.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.676 ' O ' ' C ' ' A' ' 101' ' ' SER . 24.9 m120 -23.74 -64.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.676 ' C ' ' O ' ' A' ' 100' ' ' ASN . 3.4 t -8.36 110.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -28.9 8.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.0 mt-10 -61.11 -46.7 89.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.586 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.9 m-85 -65.29 -46.54 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.8 -46.26 78.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -68.05 -32.69 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.735 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -69.68 -25.37 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.735 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 16.2 mtt180 133.28 57.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.586 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -127.0 117.77 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 1.4 m-20 -107.51 151.09 40.85 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.97 -33.42 4.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.629 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.06 -22.56 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.3 t-20 -20.35 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 2.3 pt-20 -30.34 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -175.84 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 115' ' ' ARG . 21.3 t -124.21 120.02 31.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.694 ' CD2' ' HB ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.15 158.1 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.648 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 4.2 mt -127.94 148.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 5.1 t -127.48 145.84 50.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 166' ' ' SER . 1.6 t-20 -133.95 122.75 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -114.02 107.99 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.24 -90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -104.64 111.49 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.614 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.1 t-160 97.24 139.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.575 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.791 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 53.1 p-90 -128.92 165.0 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.032 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.589 ' CG ' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.95 158.67 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.55 135.93 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.694 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 15.6 t -123.63 130.68 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -131.58 143.82 50.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -71.42 106.64 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -92.3 117.87 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.409 ' N ' HD11 ' A' ' 131' ' ' LEU . . . 58.95 -95.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 7.5 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.807 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 131' ' ' LEU . 16.9 mm100 -124.52 159.71 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.574 ' CD1' HG21 ' A' ' 112' ' ' ILE . 2.1 m95 -94.18 113.9 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.618 ' CZ ' ' HG ' ' A' ' 147' ' ' LEU . 3.2 m-85 -109.69 140.07 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.52 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.9 OUTLIER -97.92 146.88 25.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.452 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -141.18 128.93 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 140' ' ' SER . 3.8 t-20 -174.83 -73.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 139' ' ' ASN . 0.4 OUTLIER 169.55 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -68.13 -20.11 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -91.1 -4.02 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.76 25.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 146.03 -175.18 25.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 156.56 33.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.618 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -102.1 123.69 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.52 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 19.9 mt -116.66 116.18 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 146.11 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.417 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -55.09 -30.66 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.5 t -83.64 -21.42 32.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.578 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -86.49 -46.61 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -54.08 -47.25 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.79 -43.28 89.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.58 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -65.57 -38.82 90.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -62.99 -51.81 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.584 HD13 ' CZ ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -60.87 -34.51 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.71 95.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.58 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -63.97 -48.62 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -65.84 -32.64 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.558 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.1 mt-30 -66.27 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.22 -25.78 62.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.77 -35.02 62.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.693 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.28 -96.17 0.1 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.693 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.56 109.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -165.97 68.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.491 HG22 ' CE1' ' A' ' 117' ' ' PHE . 9.3 mt -133.6 136.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -123.72 124.86 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 115' ' ' ARG . 1.2 t -96.13 122.02 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.432 ' CG1' HD11 ' A' ' 94' ' ' LEU . 10.5 t -86.83 110.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -116.77 138.09 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.42 -157.41 23.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 30.1 t70 -85.12 119.11 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 1.6 tm? -104.38 126.4 31.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.03 152.16 40.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.7 161.99 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.87 172.88 12.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.279 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.93 -42.23 65.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 131' ' ' LEU . . . -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.36 -34.66 70.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -75.75 -41.02 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 5' ' ' SER . 19.6 mt -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.422 ' N ' ' HG ' ' A' ' 183' ' ' LEU . 6.2 mt-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . 2.3 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.476 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 5.2 mtt -55.54 -14.8 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.63 -24.59 49.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -139.51 43.88 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.598 ' C ' ' CG ' ' A' ' 10' ' ' PHE . 2.1 mt -94.35 123.82 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CG ' ' C ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 157.71 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.586 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.647 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.647 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 77.5 m -115.51 173.81 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -54.68 -24.33 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.85 -45.82 20.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -59.22 -44.17 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -42.81 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD2' HG13 ' A' ' 85' ' ' ILE . 31.5 tp -64.38 -38.27 90.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 12.3 m-20 -62.12 -44.56 96.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.586 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 5.6 m-20 -73.68 -32.68 64.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -69.32 -7.18 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.99 -9.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -160.87 161.42 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -71.52 -102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 66.88 28.79 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -155.19 141.61 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -110.64 172.41 3.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.458 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -23.34 13.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.81 -43.99 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.18 -48.55 81.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 80' ' ' PHE . 4.7 mt -57.15 -34.51 68.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.629 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 21.4 t -68.18 -45.89 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -31.01 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.0 -47.55 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -56.5 -48.52 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 39' ' ' SER . 6.3 m170 -64.6 -46.74 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 48' ' ' GLU . 72.8 mt-30 -64.44 -33.99 77.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.65 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.15 -47.92 80.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 26.5 t70 -60.27 -44.86 94.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.98 -47.33 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 44' ' ' GLN . 3.3 tt0 -68.04 -51.43 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 tp10 -59.53 -42.53 92.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 12.2 ttp180 -59.18 -49.27 78.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.0 ptm -73.19 -43.54 61.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.589 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tpp180 -59.12 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.512 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.1 ptm -70.76 -42.66 70.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.98 -48.8 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -79.27 -31.32 43.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -66.4 -7.55 40.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 87.24 50.19 3.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.605 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.2 p -40.25 -28.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 0.811 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 11.5 t 52.94 13.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 58' ' ' VAL . 5.6 t 77.9 -47.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.29 -47.49 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.93 -32.92 74.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.579 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.26 -53.76 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.7 mmm-85 -67.26 -27.47 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.64 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.46 -44.96 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.0 mt -35.0 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.8 mm-40 -47.08 -22.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -74.52 160.56 80.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 m -133.21 -105.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 53.15 43.79 63.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 74' ' ' MET . 28.7 m-20 63.61 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.777 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 4.1 ptt? 178.67 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.747 ' N ' ' HG3' ' A' ' 74' ' ' MET . 0.6 OUTLIER -112.23 -175.42 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.93 -29.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.55 -42.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . -166.67 54.88 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.777 ' CZ ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -158.2 158.72 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.696 ' CD2' HD12 ' A' ' 38' ' ' LEU . 32.4 m-85 -119.74 159.27 24.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.604 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.95 145.21 55.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.717 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.69 -28.98 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -62.98 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' A' ' 81' ' ' SER . 3.2 m -61.14 -36.87 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.534 HD13 ' CZ2' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -65.72 -42.63 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -59.01 -44.87 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 2.0 m-80 -61.27 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.65 -32.16 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.687 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -67.6 -49.55 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 18.3 ptpt -57.05 -48.21 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.9 m -68.7 -24.04 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.623 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.7 m95 -80.68 -21.0 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.24 -37.6 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.687 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.2 pt? -90.65 170.83 9.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 171' ' ' LYS . 12.3 pt-20 -134.4 154.74 51.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' CD1' ' A' ' 82' ' ' ILE . 13.5 tp -124.77 141.91 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.506 HD13 ' CG2' ' A' ' 169' ' ' VAL . 1.1 pp -143.6 160.14 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -63.71 138.4 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 100' ' ' ASN . 32.2 t80 -84.67 -50.74 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.673 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.6 m-20 -25.28 -57.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.673 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.5 t -8.88 102.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.16 20.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 mt-10 -72.15 -46.66 55.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.648 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.4 m-85 -68.12 -46.49 70.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HA ' ' HB ' ' A' ' 109' ' ' ILE . 1.6 mt-30 -55.37 -46.53 76.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.38 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.737 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.34 -24.52 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.737 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptm180 131.14 60.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.648 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.85 119.92 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.534 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -106.7 154.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.99 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.791 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.513 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -75.65 -23.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -60.27 -16.75 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.75 119.14 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -67.71 -8.46 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -165.68 110.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.24 158.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.641 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.6 mt -123.27 144.75 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -127.33 144.21 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.452 ' C ' ' ND2' ' A' ' 120' ' ' ASN . 0.8 OUTLIER -131.92 124.62 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -114.09 108.34 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.2 mppt? 34.72 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tt0 -102.21 111.39 23.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.589 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.2 t-160 94.5 140.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.812 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 58.6 p-90 -128.87 165.02 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.592 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -128.51 159.39 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.81 132.5 54.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.677 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 23.6 t -114.76 121.76 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.424 ' NH1' ' HG ' ' A' ' 138' ' ' LEU . 1.0 OUTLIER -121.9 156.32 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.9 OUTLIER -86.23 123.44 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.615 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -117.26 122.41 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 68.31 -101.05 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 19.97 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 13.4 mm100 -140.18 160.53 39.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.593 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 6.3 m95 -86.51 145.12 26.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.615 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 21.8 m-85 -145.78 136.51 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.509 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 1.2 p-10 -88.81 150.42 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.424 ' HG ' ' NH1' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -148.51 139.67 23.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 140' ' ' SER . 17.4 t30 177.01 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 164.36 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.592 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 1.1 pp -68.56 -28.48 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.492 HD21 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -82.08 -3.57 54.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.492 ' N ' HD21 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 48.44 22.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.462 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.4 ' O ' HD22 ' A' ' 142' ' ' LEU . . . 152.78 174.75 23.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -87.07 155.63 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 134' ' ' GLN . 28.2 tp -101.33 123.93 46.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.509 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 39.3 mt -115.02 123.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 148.06 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 134' ' ' GLN . 4.3 m-20 -55.15 -33.04 62.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.3 t -83.68 -24.01 31.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.561 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -82.52 -45.29 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.08 -48.0 71.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.58 -43.8 88.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.604 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.67 -36.78 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -64.87 -51.7 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 5.0 mt -58.51 -35.0 71.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.97 92.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.604 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -61.56 -48.37 81.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.92 -36.93 83.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.513 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 7.2 mt-30 -62.41 -46.4 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -70.9 -28.59 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.41 -30.09 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.59 -99.02 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.52 112.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.509 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -174.1 73.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.475 HD13 ' CG ' ' A' ' 161' ' ' GLN . 11.3 mt -134.81 137.0 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.717 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 144.56 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 99' ' ' PHE . 35.2 m -112.07 131.59 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 94' ' ' LEU . 2.7 t -93.45 110.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -120.87 135.74 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 137.93 -152.63 21.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 58.2 m-20 -83.8 120.98 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.529 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -110.23 132.64 21.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.59 143.8 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 20.5 p -127.07 -167.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.82 -42.42 65.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.495 ' CB ' HD23 ' A' ' 131' ' ' LEU . . . -56.21 -39.27 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 13.4 t70 -58.44 -35.12 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -75.75 -35.12 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.07 -46.03 90.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.572 ' C ' ' CD1' ' A' ' 183' ' ' LEU . 0.2 OUTLIER -61.35 -41.72 97.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.415 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.452 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.3 mtt -51.32 -20.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.91 -34.36 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 182' ' ' LEU . 0.3 OUTLIER -145.42 58.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.659 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 5.1 mt -103.3 123.92 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 156.63 -165.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 26' ' ' ASN . 11.5 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.727 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 29.4 p -115.85 173.97 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.2 -24.85 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -46.89 -38.99 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 139' ' ' ASN . 3.4 p-80 -54.07 -46.29 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 0.5 OUTLIER -66.46 -42.42 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD1' HD21 ' A' ' 89' ' ' LEU . 11.7 tp -61.71 -43.02 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 3.5 m120 -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 22' ' ' HIS . 1.3 m-20 -71.16 -26.81 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 tp -72.04 -47.04 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 41.0 mt -77.01 -32.56 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' CD ' ' HA ' ' A' ' 177' ' ' CYS . 4.5 tm0? 59.14 102.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.676 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 167.23 -53.08 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.4 tt0 88.76 64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.676 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.5 m-85 -134.5 48.51 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.63 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.69 154.76 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.9 -179.93 1.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.03 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.94 -37.95 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -59.95 -44.52 94.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.02 -44.77 83.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -59.32 -46.0 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -67.25 -41.33 85.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -63.08 -47.97 90.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.43 -46.83 76.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 39' ' ' SER . 13.0 m170 -67.26 -44.69 78.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.494 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -64.96 -35.09 80.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.58 -43.93 83.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.68 -45.06 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 tp10 -73.97 -42.37 60.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.7 tt0 -69.61 -52.27 27.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 6.9 mm-40 -60.77 -39.49 89.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 17.7 ttt180 -62.19 -48.97 77.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.6 ptm -72.81 -47.57 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.5 ttt180 -56.99 -48.36 78.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.7 ptm -72.22 -42.51 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.07 -48.5 78.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.4 mm-40 -80.07 -53.8 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -41.67 -22.85 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 102.18 54.66 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.598 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.2 p -42.28 -27.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 12.5 t 52.9 14.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 58' ' ' VAL . 6.7 t 77.26 -47.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.57 -47.58 69.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.66 -33.21 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.09 -53.55 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.4 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -50.4 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -79.02 -41.4 29.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 11.2 mt -40.23 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' PHE . 41.2 mm-40 -53.75 -20.88 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.7 mm-40 -67.91 161.03 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.99 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -90.07 -161.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 97.95 -0.79 59.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 3.0 m120 62.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 72' ' ' GLY . 11.6 ptm 177.54 161.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.8 t70 -110.6 172.57 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -133.82 25.69 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 p -105.21 11.68 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.23 31.54 2.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -152.55 134.58 14.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 44.0 m-85 -119.59 160.36 22.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.587 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -66.49 145.84 55.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.702 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.3 -27.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.516 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -61.6 -26.92 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' A' ' 81' ' ' SER . 4.3 m -61.26 -38.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.487 HD11 ' CH2' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -64.39 -36.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.464 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 31.9 t -64.81 -44.92 88.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.614 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -61.35 -39.43 90.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.64 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -72.95 -35.17 66.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.689 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.54 -50.75 57.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.663 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.56 -44.96 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.64 HG21 ' O ' ' A' ' 88' ' ' ALA . 6.1 m -73.31 -20.15 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.682 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.7 m95 -82.4 -21.52 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.53 -48.46 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.808 HD12 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.23 170.85 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.87 157.94 36.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 17.0 tp -124.64 132.59 53.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 169' ' ' VAL . 2.4 pp -140.56 158.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -64.98 130.74 44.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 167' ' ' ILE . 6.0 t80 -81.92 -38.03 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.639 ' O ' ' C ' ' A' ' 101' ' ' SER . 10.2 m120 -33.64 -52.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -15.01 106.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.25 20.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 15.8 mt-10 -71.34 -46.84 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.706 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.1 m-85 -67.2 -46.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.3 mt-30 -55.49 -46.71 76.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -63.98 -40.32 96.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.1 mt -65.45 -24.61 67.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 10.8 mtt180 130.43 62.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.706 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.2 119.58 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.9 OUTLIER -106.79 153.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.482 ' CB ' HD13 ' A' ' 157' ' ' LEU . 18.1 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.609 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.15 -18.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.8 m-20 -66.09 -10.08 37.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.452 ' CG ' HG23 ' A' ' 169' ' ' VAL . 9.2 tp10 -91.36 150.48 21.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 130' ' ' LYS . 2.0 tmt_? -88.56 -26.22 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.4 ' OG ' HG21 ' A' ' 170' ' ' VAL . 12.2 t -149.71 113.45 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.058 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.696 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.7 154.79 28.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.646 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.8 mt -127.74 144.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -126.57 147.03 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.5 t-20 -129.58 118.81 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.5 OUTLIER -114.04 107.85 16.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER 33.85 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 3.3 tm-20 74.63 -86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -52.13 132.08 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.768 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 41.5 p-90 -129.21 164.8 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.575 ' CD2' HD22 ' A' ' 141' ' ' LEU . 1.3 m-85 -129.11 162.38 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 138' ' ' LEU . 0.2 OUTLIER -115.13 122.01 44.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.696 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 21.7 t -106.51 129.33 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 153.83 46.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.693 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.9 mptt -85.06 110.76 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.61 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -95.14 120.58 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 183' ' ' LEU . . . 57.78 -96.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 13.75 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.42 148.56 50.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.693 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 0.7 OUTLIER -75.17 128.64 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.004 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.9 m-85 -128.26 136.51 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.9 142.17 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.444 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -144.4 146.04 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.548 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 11.1 t-20 166.17 -70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.51 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.575 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.9 -23.06 64.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -92.68 -5.27 51.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.51 22.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 151.54 -163.14 29.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.452 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.99 97.65 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 142' ' ' LEU . 0.8 OUTLIER -84.72 125.6 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -80.34 124.58 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.3 123.86 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 147.82 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.574 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -55.41 -31.59 61.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.53 -12.86 55.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -99.57 -45.99 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -53.95 -48.87 69.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.635 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.71 -36.78 81.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -63.99 -49.95 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.598 HD23 ' CE2' ' A' ' 117' ' ' PHE . 3.7 mt -60.4 -34.99 74.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.22 95.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.635 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -61.51 -48.36 81.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.93 -35.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.9 mt-30 -63.66 -46.66 84.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.29 -27.62 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.31 -33.53 67.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.691 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.86 -96.44 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.691 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.29 121.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 175.58 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 99' ' ' PHE . 13.5 mt -134.86 128.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.5 m-85 -116.47 122.3 44.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.1 t -95.45 125.96 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.498 ' CG1' HD22 ' A' ' 94' ' ' LEU . 19.1 t -86.66 113.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.29 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 125.92 -156.6 19.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.563 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.2 m-20 -93.77 118.62 31.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 115' ' ' ARG . 2.0 tm? -104.11 129.4 25.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 128.93 11.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 175' ' ' PRO . 22.9 p30 -51.26 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.405 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 30.4 p -161.47 178.53 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.33 -42.53 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 131' ' ' LEU . . . -55.54 -38.21 68.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.489 ' O ' ' CD2' ' A' ' 183' ' ' LEU . 45.3 t0 -58.23 -34.94 70.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -39.57 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 8' ' ' SER . 11.9 mt -62.43 -30.47 71.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.95 -25.41 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' HG13 ' A' ' 9' ' ' ILE . 82.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 136' ' ' PHE . 9.6 mtt -55.46 -11.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 8' ' ' SER . 17.6 pt-20 -53.42 -38.84 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -142.66 48.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.761 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 3.1 mt -83.99 123.45 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.761 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 21.8 p90 164.31 -167.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.573 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 9.7 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.508 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 74.6 m -115.31 174.05 6.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.762 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.24 -24.22 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.1 tm0? -46.53 -25.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -42.94 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.547 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -71.3 -44.77 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.547 ' CD2' HG13 ' A' ' 85' ' ' ILE . 27.6 tp -60.3 -45.97 91.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 1.5 m120 -60.53 -42.3 96.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -26.85 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -75.06 -47.4 29.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.54 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 48.9 73.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.769 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.16 -51.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.1 tt0 84.49 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.769 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.6 m-85 -138.57 53.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -158.52 142.84 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -120.87 -180.0 0.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.96 -47.58 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.0 -36.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.4 mt-10 -67.24 -49.25 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 2.6 mt -58.63 -42.76 89.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.459 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -61.52 -46.06 91.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.56 85.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -62.05 -47.89 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.592 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -57.41 -47.08 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.0 m170 -68.07 -40.23 82.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' A' ' 48' ' ' GLU . 20.5 mt-30 -70.03 -34.73 73.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' CD2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -65.74 -47.42 75.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -60.79 -45.18 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.0 tt0 -73.69 -46.17 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.4 tt0 -67.01 -53.48 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.1 mm-40 -59.62 -39.77 85.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.9 ttp180 -61.64 -49.12 77.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.2 ptm -73.22 -45.99 52.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.11 -50.25 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.498 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 4.0 ptm -71.03 -41.55 70.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.08 -48.88 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.1 mm-40 -65.02 -56.59 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.53 -12.19 4.49 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.659 ' C ' HG12 ' A' ' 58' ' ' VAL . . . 98.02 -22.3 41.59 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.693 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 p 49.71 8.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.588 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER 36.99 19.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.36 -49.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 59' ' ' THR . 31.9 mm-40 -53.43 -47.97 69.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.44 -33.76 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.603 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -71.13 -53.29 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -66.7 -27.93 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -49.39 49.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -78.69 -38.37 39.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.3 mt -45.24 -23.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 29.1 mm-40 -61.9 -30.58 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.6 mt-30 -60.57 161.63 13.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.03 159.51 41.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -108.45 -141.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . 101.51 -10.29 57.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.643 ' O ' ' O ' ' A' ' 74' ' ' MET . 8.1 m-80 38.13 55.34 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.649 ' HE2' ' CD1' ' A' ' 80' ' ' PHE . 10.3 ptm 49.47 151.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 14.6 m-20 -110.65 -177.97 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.55 -22.03 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -54.58 -26.23 31.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.468 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 136.8 56.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.98 130.54 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.649 ' CD1' ' HE2' ' A' ' 74' ' ' MET . 52.7 m-85 -104.59 159.09 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.25 146.63 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.723 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.84 -27.53 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.575 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.9 mp0 -62.21 -27.23 68.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 81' ' ' SER . 3.8 m -61.09 -40.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 24' ' ' LEU . 1.1 mp -61.31 -45.3 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -56.78 -45.28 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.614 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.5 m-80 -60.75 -38.34 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.36 -32.31 66.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.778 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.42 -50.91 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.761 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.72 -35.12 79.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER -76.42 -21.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 4.6 m95 -87.63 -21.11 25.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -35.96 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.778 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -90.37 170.34 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 171' ' ' LYS . 3.6 pt-20 -133.19 152.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CD1' ' HB3' ' A' ' 168' ' ' PHE . 10.6 tp -125.02 134.45 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.8 pp -136.54 159.41 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.59 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.29 129.67 40.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 23.6 t80 -85.0 -43.62 13.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.657 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -35.67 -39.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 t -26.2 108.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.62 19.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.2 tt0 -72.38 -46.81 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.711 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.2 m-85 -66.9 -46.84 73.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.8 mt-30 -55.23 -46.72 76.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.84 -41.29 97.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -64.69 -24.55 67.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.8 mtt-85 130.08 63.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.711 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 119.12 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.74 154.19 40.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.98 -39.84 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -26.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.0 m-20 -52.17 -20.35 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -89.98 147.17 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -93.49 -5.58 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -163.07 113.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.716 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -121.47 158.56 28.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.627 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 1.8 mt -121.97 143.37 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.566 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -127.49 139.94 52.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.287 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -131.55 124.51 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.617 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -114.13 108.01 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.03 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.8 -91.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.0 tt0 -103.43 111.06 23.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.5 t-160 96.47 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.578 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.762 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 47.1 p-90 -128.99 165.19 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 107.968 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.568 ' CD1' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.56 162.45 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.72 133.46 55.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.716 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 24.7 t -116.33 122.05 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -123.22 153.41 40.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 3.0 ttpt -85.48 105.3 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.563 ' HB2' ' CG ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -90.2 122.35 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 183' ' ' LEU . . . 69.34 -78.88 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.78 23.76 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.497 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 17.8 mm100 -140.54 153.86 46.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.525 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.45 116.18 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.015 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.601 ' CE1' ' HG ' ' A' ' 147' ' ' LEU . 3.4 m-30 -112.95 135.64 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.72 140.29 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.8 mt -148.61 144.19 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 140' ' ' SER . 11.1 t30 165.82 -59.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 159.98 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -73.22 -25.17 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.516 HD12 ' CD2' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -89.12 -4.61 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.493 ' N ' HD21 ' A' ' 142' ' ' LEU . 0.7 OUTLIER 47.48 24.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 147.32 178.8 22.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.62 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.09 123.95 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.601 ' HG ' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -68.09 123.39 20.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 15.5 mt -105.81 137.72 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.7 150.78 26.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -55.0 -40.69 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -84.12 -3.35 58.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.534 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -99.93 -49.61 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.23 70.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.492 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.13 -42.74 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.642 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.0 -37.03 85.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -63.65 -51.62 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 3.5 mt -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.95 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.642 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -61.7 -48.41 80.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.526 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -65.75 -35.54 81.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.491 ' CG ' HD13 ' A' ' 167' ' ' ILE . 8.0 mt-30 -64.89 -46.44 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.25 -25.24 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.67 -33.68 60.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.713 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.64 -97.82 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.713 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.87 108.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -173.75 77.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.491 HD13 ' CG ' ' A' ' 161' ' ' GLN . 8.9 mt -134.88 134.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.723 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -124.23 122.04 36.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -93.31 123.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 94' ' ' LEU . 2.5 t -87.81 115.02 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -125.36 133.2 52.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 149.09 -145.8 14.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.4 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 5.5 m-20 -95.47 120.2 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.58 132.36 21.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -176.77 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.86 -151.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.1 pt-20 -52.93 -42.61 65.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 131' ' ' LEU . . . -56.02 -41.77 75.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.36 -35.0 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.42 -39.84 62.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 8' ' ' SER . 36.1 mt -65.23 -27.12 68.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.4 tt -56.63 -39.22 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.1 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.538 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.87 -14.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.97 -21.69 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -137.04 37.28 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.608 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 5.6 mt -90.6 139.17 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CD1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER 82.72 125.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.756 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 3.6 pp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' ' CD1' ' A' ' 18' ' ' LEU . 20.5 m -115.42 174.5 5.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 108.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.45 -24.37 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.82 -33.49 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -56.55 -48.57 77.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.77 -37.04 83.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 85' ' ' ILE . 32.0 tp -62.71 -45.81 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.5 -44.92 92.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.66 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 2.0 t30 -70.94 -39.38 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.38 -45.43 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.621 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -76.3 -1.25 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 2.9 pt20 34.09 54.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.756 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -171.18 -32.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 30' ' ' GLY . 1.2 mt-10 77.23 -117.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 1.8 m-85 64.28 28.56 13.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.641 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -140.78 154.86 46.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -128.12 175.66 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.041 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.03 -45.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.66 -41.17 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 18.3 mt-10 -58.64 -40.53 83.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' CD1' ' HB2' ' A' ' 21' ' ' GLN . 2.9 mt -58.47 -45.71 88.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -59.81 -45.97 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -67.39 -42.94 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.53 -45.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.725 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -58.73 -45.63 89.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' SER . 9.9 m170 -68.37 -42.77 78.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.12 -36.71 82.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -67.7 -43.28 80.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.8 tt0 -74.29 -34.73 63.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -77.2 -50.98 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.2 tp10 -62.52 -36.19 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.585 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 28.5 ttt180 -70.73 -48.73 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.571 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.7 ptm -72.76 -49.62 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -56.18 -47.27 78.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.569 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.8 ptm -72.92 -40.19 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -66.94 -48.28 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' CG ' ' O ' ' A' ' 51' ' ' MET . 2.4 mm-40 -63.39 -58.17 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.45 -12.41 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.676 ' C ' HG12 ' A' ' 58' ' ' VAL . . . 97.42 -20.35 51.06 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.684 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.3 p 49.87 8.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.592 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER 37.57 19.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER 65.93 -50.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 59' ' ' THR . 7.7 mt-10 -53.24 -47.54 68.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.23 -33.79 67.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.565 ' CD2' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -70.53 -53.34 16.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.52 -27.78 68.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.3 -48.82 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -78.46 -42.66 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.1 mt -39.8 -27.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.2 mm-40 -53.67 -36.55 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 2.4 mt-30 -60.92 164.13 8.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.09 131.01 13.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.6 p -95.56 -148.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 91.54 8.66 63.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.4 m-80 63.98 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.3 ptm 174.83 172.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 17.2 t0 -110.32 -177.05 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -149.94 24.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -105.95 10.06 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.76 41.9 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -166.32 138.68 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 39.4 m-85 -116.41 158.89 22.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.513 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.6 t -67.59 139.23 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.713 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -60.23 -27.03 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.625 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 29.9 mm-40 -61.65 -26.12 67.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.528 HG11 ' CB ' ' A' ' 42' ' ' ALA . 3.8 m -61.2 -39.58 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.534 ' CG2' HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -63.32 -36.98 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 96' ' ' LEU . 40.6 t -65.17 -43.79 90.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.697 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -60.77 -41.05 94.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.25 -33.76 72.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.99 -49.29 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.7 ptmt -56.95 -46.35 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 88' ' ' ALA . 14.8 m -71.74 -22.64 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.621 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.4 m95 -81.01 -20.51 41.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.33 3.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -90.73 170.13 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.03 155.66 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.62 125.96 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 169' ' ' VAL . 1.0 OUTLIER -131.67 158.77 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -65.2 148.08 52.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 33.3 t80 -94.79 -46.58 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.666 ' O ' ' C ' ' A' ' 101' ' ' SER . 8.4 m-20 -29.2 -54.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.666 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -10.96 102.48 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.9 tt0 -73.57 -46.85 44.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.645 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.0 m-85 -67.86 -46.19 72.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.0 mt-30 -55.1 -46.4 75.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.83 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.54 -24.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.0 ptt180 131.71 60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.645 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.82 119.28 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 1.4 m-20 -106.5 154.32 39.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.98 -36.39 2.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.401 ' HA ' HD11 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.53 -25.1 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.5 m-20 -60.15 -15.28 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG3' HG13 ' A' ' 169' ' ' VAL . 58.0 mm-40 -94.44 110.4 22.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.05 -33.14 64.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.74 114.77 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.692 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -123.68 155.24 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.645 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.4 mt -126.33 143.14 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.495 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -127.28 146.36 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -136.36 125.39 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.97 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 36.23 -90.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.604 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -103.85 111.87 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.9 t-160 96.25 138.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.792 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 45.2 p-90 -129.03 164.83 22.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.033 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.04 157.24 42.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.75 134.88 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.692 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 16.5 t -119.34 125.06 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -124.88 147.84 48.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.42 111.09 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 2.2 tm? -100.58 122.07 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.67 -81.17 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' OE1' ' A' ' 134' ' ' GLN . 2.5 tttp -153.88 21.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 0.9 OUTLIER -135.36 159.8 40.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -96.86 119.83 36.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 1.4 m-85 -116.68 133.48 55.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.431 ' O ' ' CD2' ' A' ' 138' ' ' LEU . 0.2 OUTLIER -87.94 150.1 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.619 ' HG ' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -154.04 142.37 20.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 140' ' ' SER . 2.7 t30 169.41 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.2 t 155.36 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.564 HD22 ' CE2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -73.33 -29.98 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -92.47 -5.09 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.495 ' N ' HD22 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 44.47 26.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.435 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 157.48 -178.16 33.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.494 ' HA ' ' CD2' ' A' ' 138' ' ' LEU . 18.4 Cg_endo -75.0 64.53 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.19 103.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 1.4 tp -57.84 134.2 56.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 61.2 mt -113.5 148.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 156.31 17.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.551 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.6 OUTLIER -59.96 -38.97 84.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.9 t -83.51 -2.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.622 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -104.4 -50.8 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' A' ' 117' ' ' PHE . 1.1 tm? -54.0 -47.66 71.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.82 84.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -64.11 -39.25 93.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -62.09 -51.53 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.67 HD13 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -60.59 -34.34 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.03 87.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.586 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -65.8 -49.29 68.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.552 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -65.04 -35.43 81.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.1 mt-30 -64.36 -46.63 82.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -70.75 -25.69 63.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -76.23 -31.53 58.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.45 -97.36 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.52 114.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.559 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -177.35 70.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.465 ' O ' HD13 ' A' ' 98' ' ' LEU . 18.3 mt -130.07 136.83 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.713 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -124.42 143.2 50.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.562 ' O ' HD23 ' A' ' 96' ' ' LEU . 25.3 m -111.45 122.92 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 94' ' ' LEU . 2.5 t -88.4 110.51 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.01 134.79 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 147.54 -149.0 21.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.42 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -91.06 119.89 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.577 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.4 OUTLIER -101.02 134.13 20.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 161.36 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.491 ' CG ' ' N ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -108.0 169.39 8.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 0.6 OUTLIER -172.2 -148.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.251 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 3.8 mm-40 -66.19 -39.17 89.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -55.31 -39.03 69.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.467 ' CB ' ' OD2' ' A' ' 176' ' ' ASP . 8.4 t70 -58.5 -39.96 81.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . 0.596 ' HG3' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.12 -28.1 61.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.596 ' N ' ' HG3' ' A' ' 181' ' ' GLN . 85.0 mt -72.05 -29.98 64.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.414 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 1.4 tm? -57.04 -47.63 80.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.492 ' HA ' ' CG1' ' A' ' 9' ' ' ILE . 5.7 ttm -62.47 -5.3 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.15 -14.12 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' HD12 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.07 40.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 7.5 mt -94.03 123.68 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.605 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 4.1 p90 171.25 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' HG ' ' SG ' ' A' ' 19' ' ' CYS . 1.3 pt? . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' C ' ' A' ' 78' ' ' GLY . 90.3 m -114.28 174.64 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.814 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.37 -23.96 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.0 tp-100 -46.45 -24.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -64.13 -55.98 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.551 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' SG ' ' C ' ' A' ' 138' ' ' LEU . 1.4 m -60.54 -38.61 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD11 ' CG1' ' A' ' 85' ' ' ILE . 31.8 tp -60.92 -35.77 77.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.503 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.9 m120 -67.95 -45.16 75.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 62.1 t-20 -71.68 -31.84 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.5 -47.19 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -76.9 -1.88 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.631 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 54.2 tt0 98.68 -54.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -129.59 168.03 21.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -61.03 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-30 71.38 4.06 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -133.71 148.33 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -121.37 -179.31 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.587 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -74.98 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.82 -37.81 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 3.3 mt-10 -65.9 -42.0 90.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.1 tp -64.52 -43.86 92.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.488 ' OG ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.36 -45.55 87.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -68.3 -38.37 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -60.63 -47.79 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' CB ' HG12 ' A' ' 84' ' ' VAL . . . -60.02 -47.07 87.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 19.8 m170 -64.57 -47.78 77.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -61.86 -34.49 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.52 -44.61 86.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 8.1 t70 -60.43 -44.19 96.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 51' ' ' MET . 74.2 mt-10 -73.29 -47.07 45.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.9 tt0 -68.97 -51.7 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.2 tt0 -59.78 -39.59 85.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 ttt180 -62.09 -48.98 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.3 ptm -72.36 -44.42 62.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' N ' ' HG3' ' A' ' 51' ' ' MET . 3.1 tpp180 -60.66 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.2 ptm -72.4 -41.14 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.01 -48.84 72.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -77.65 -53.11 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.75 -20.31 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 95.97 58.73 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.619 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.6 p -50.92 -22.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 8.9 t 51.65 15.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.4 t 79.53 -43.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.77 -47.34 70.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.461 ' CB ' HG21 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.45 -53.61 22.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.1 mtp180 -66.9 -27.32 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -49.7 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.45 -44.88 23.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.6 mt -36.44 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 14.6 mm-40 -51.01 -20.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.585 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -73.0 158.82 86.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.2 Cg_endo -75.01 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -60.3 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' PRO . . . -59.91 -24.39 60.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.847 ' O ' ' HB3' ' A' ' 74' ' ' MET . 2.1 m120 -50.11 -62.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.847 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 20.3 ptm 123.64 165.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.597 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 19.2 t0 -110.61 -176.25 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -143.61 27.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -114.93 12.56 16.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.489 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 105.84 42.99 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -164.42 129.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.593 ' CD1' ' HE3' ' A' ' 74' ' ' MET . 64.2 m-85 -104.44 156.98 17.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -67.42 139.66 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.673 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -56.16 -27.39 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.565 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 31.2 mm-40 -62.09 -24.97 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.513 ' CG2' ' HG ' ' A' ' 38' ' ' LEU . 3.5 m -60.52 -42.89 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mp -60.58 -44.46 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 48.1 t -56.75 -45.26 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.634 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -61.47 -38.05 85.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HA ' HG21 ' A' ' 91' ' ' VAL . . . -73.06 -36.9 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.1 mt -65.46 -50.39 65.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.7 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 88' ' ' ALA . 6.4 m -71.54 -19.78 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.641 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.6 m95 -83.92 -20.59 32.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.059 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.22 -38.99 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.7 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -90.53 170.39 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 171' ' ' LYS . 7.6 pt-20 -125.53 149.8 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.59 125.53 44.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.456 ' N ' HD21 ' A' ' 96' ' ' LEU . 1.4 pp -136.15 158.25 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.43 148.34 51.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' HB2' ' CG1' ' A' ' 169' ' ' VAL . 26.5 t80 -96.53 -43.49 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.707 ' OD1' ' CE2' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -29.58 -49.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.0 t -17.19 103.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.04 -16.54 20.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 18.5 mt-10 -71.75 -47.14 55.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.72 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.8 m-85 -67.42 -46.98 71.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.7 mt-30 -55.33 -47.13 76.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 6.7 mtp180 -63.1 -41.59 99.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.5 mt -64.73 -24.53 67.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 1.2 ptt180 129.73 63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.72 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.97 122.62 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.95 155.64 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.2 Cg_endo -75.03 -37.08 2.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.581 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.18 -18.78 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 5.8 m-20 -75.5 64.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HG2' ' HB ' ' A' ' 169' ' ' VAL . 0.8 OUTLIER -166.2 169.4 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.614 ' HG3' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -84.13 -38.4 20.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.614 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 1.7 t -157.1 138.13 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.704 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -117.24 154.52 31.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 1.1 mt -122.97 145.06 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -127.36 141.4 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.99 123.46 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.587 ' CD1' ' HE3' ' A' ' 122' ' ' LYS . 1.4 t80 -113.44 109.17 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.587 ' HE3' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER 59.34 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -113.93 -72.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 140.44 54.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.814 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 56.5 p-90 -128.85 164.96 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 1.5 m-85 -128.82 161.74 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.08 122.65 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.704 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 21.6 t -105.46 127.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.26 140.04 52.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.684 ' CD ' ' CE3' ' A' ' 135' ' ' TRP . 6.6 mmtp -84.43 113.65 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.496 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 0.6 OUTLIER -107.08 122.21 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.438 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 63.85 -107.22 1.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 2.84 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 6.8 mm100 -117.73 152.54 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.684 ' CE3' ' CD ' ' A' ' 130' ' ' LYS . 1.8 m95 -97.97 126.44 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.55 ' CZ ' HD23 ' A' ' 147' ' ' LEU . 4.1 m-85 -122.36 136.79 54.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.461 HD21 ' N ' ' A' ' 138' ' ' LEU . 0.2 OUTLIER -88.48 146.91 24.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -138.5 131.7 30.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.428 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.3 t-20 179.84 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.428 ' N ' HD23 ' A' ' 142' ' ' LEU . 42.9 t 178.31 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -68.67 -19.25 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.474 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -94.1 -3.3 51.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 45.93 26.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 147.57 -169.0 28.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 82.01 2.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.66 117.23 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.55 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 1.3 mt -68.23 123.51 20.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 76.8 mt -124.03 113.86 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.66 148.24 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 1.6 m-20 -54.96 -32.49 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.2 t -83.64 -20.51 33.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.533 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -86.18 -42.72 13.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.6 HD21 ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -54.23 -48.03 71.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.34 -45.51 79.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.594 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -60.53 -48.02 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.63 HD13 ' CZ ' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -61.58 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.32 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.594 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -67.11 -48.28 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -65.37 -35.22 80.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 167' ' ' ILE . 4.1 mt-30 -63.23 -46.94 84.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.48 -26.44 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -75.9 -29.26 58.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.723 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.11 -100.2 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.723 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 158.94 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 174.86 78.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 6.1 mt -135.32 132.95 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.673 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.09 147.3 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.586 ' CG1' ' HB2' ' A' ' 99' ' ' PHE . 26.3 m -124.28 120.56 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.593 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.61 110.18 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -111.51 144.8 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.32 -145.92 17.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 14.4 t0 -103.42 120.6 41.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.507 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -96.4 132.81 25.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 175' ' ' PRO . 4.8 m-20 -43.36 166.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.504 ' CB ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 p -162.37 170.08 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.602 ' OE2' ' CE1' ' A' ' 10' ' ' PHE . 2.0 pt-20 -52.97 -42.86 65.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.496 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -59.54 -39.26 83.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.405 ' O ' HD11 ' A' ' 183' ' ' LEU . 4.2 t70 -58.13 -34.79 70.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.69 -43.93 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 45.7 mt -54.7 -38.51 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 183' ' ' LEU . 0.0 OUTLIER -57.27 -33.64 67.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 183' ' ' LEU . 5.0 tt0 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 9' ' ' ILE . 3.8 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.482 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 28.2 mtp -67.22 -3.36 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.99 -11.94 60.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 182' ' ' LEU . 4.9 t -154.19 37.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.639 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 3.6 mt -87.53 123.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 158.31 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 5.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 19' ' ' CYS . 1.2 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.571 ' N ' HD13 ' A' ' 18' ' ' LEU . 1.6 p -116.32 173.88 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -60.94 -24.35 65.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.522 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -46.54 -29.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 1.3 t-80 -57.99 -53.89 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -63.11 -37.71 88.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD21 HG13 ' A' ' 85' ' ' ILE . 15.0 tp -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.5 m120 -60.5 -42.2 95.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -74.72 -35.72 62.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' CYS . 1.8 tp -68.08 -45.66 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' A' ' 29' ' ' GLN . 38.6 mt -74.86 -1.52 22.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER 77.51 -47.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.642 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -118.6 136.15 11.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -53.56 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.295 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 69.5 34.06 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.555 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -158.8 154.15 25.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.58 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -131.55 -177.33 0.67 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -55.91 -37.65 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 4.7 mt-10 -64.74 -42.26 95.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HG ' ' CG2' ' A' ' 84' ' ' VAL . 1.6 tp -64.34 -42.47 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.462 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.74 -45.77 88.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -64.77 -45.56 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.722 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -60.74 -47.28 87.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 16.2 m170 -68.51 -42.24 78.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.633 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.35 -47.06 85.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.722 HD22 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -62.21 -38.53 89.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 7.1 t70 -60.19 -44.9 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' MET . 18.1 mt-10 -73.64 -42.43 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -72.46 -52.35 16.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.1 pp20? -59.47 -39.13 82.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.5 ttm180 -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.3 mtm -71.38 -51.44 24.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.81 -45.97 81.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 3.5 ptm -72.42 -42.41 65.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -68.13 -48.66 64.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.552 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.2 pp20? -74.1 -34.41 63.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -72.56 -8.16 70.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 95.08 -31.6 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.701 ' O ' HG21 ' A' ' 58' ' ' VAL . 3.0 p 48.67 11.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.09 22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER 63.89 -50.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 59' ' ' THR . 11.6 mt-10 -53.49 -47.79 69.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.615 ' CB ' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.91 -53.73 41.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.2 mmt85 -67.61 -26.92 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -50.47 48.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.25 -41.0 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.492 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 11.2 mt -39.93 -27.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' N ' ' C ' ' A' ' 66' ' ' PHE . 22.3 mm-40 -54.17 -33.91 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.493 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 2.4 mt-30 -64.56 162.07 38.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.06 152.37 40.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -115.13 -101.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 43.29 43.24 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' C ' ' HG2' ' A' ' 74' ' ' MET . 2.8 m120 64.05 -68.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 1.8 ptm 172.75 -82.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 19.3 p-10 -83.05 -175.62 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -167.36 -31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 t -141.37 -66.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.65 59.42 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -168.92 161.51 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 64.3 m-85 -120.0 159.45 24.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.543 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.39 149.34 50.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.709 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -64.15 -27.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.601 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 40.9 mm-40 -61.62 -25.87 67.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 81' ' ' SER . 3.9 m -60.84 -40.7 86.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -62.73 -44.34 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 6.4 t -55.93 -45.38 78.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.644 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -61.46 -41.07 96.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.637 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -72.24 -36.59 69.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.4 mt -67.43 -49.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.681 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -57.04 -46.71 82.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 88' ' ' ALA . 3.4 m -72.97 -20.01 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -82.2 -20.97 36.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.22 -42.48 1.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.41 166.51 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.9 pt-20 -122.35 156.38 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.89 125.87 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.51 HD12 ' CG2' ' A' ' 169' ' ' VAL . 1.5 pp -133.1 159.44 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.522 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.63 146.28 54.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.621 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 33.8 t80 -91.75 -51.08 5.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.694 ' O ' ' C ' ' A' ' 101' ' ' SER . 32.2 m120 -23.85 -65.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.733 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 2.2 t -2.56 104.85 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -14.53 21.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.0 mt-10 -72.26 -46.34 56.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 109' ' ' ILE . 2.1 m-85 -70.12 -46.84 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.733 ' HG2' ' O ' ' A' ' 101' ' ' SER . 83.8 mm-40 -53.87 -47.5 70.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -35.14 70.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -62.5 -25.29 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 4.3 ptt180 130.68 53.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.563 ' CD1' ' O ' ' A' ' 104' ' ' TYR . 1.5 mp -126.92 120.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.41 154.65 39.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.97 -33.19 4.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.605 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.76 -23.44 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -68.38 -9.29 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG3' HG12 ' A' ' 169' ' ' VAL . 64.0 mm-40 -87.81 113.07 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CD ' ' HB2' ' A' ' 116' ' ' SER . 0.2 OUTLIER -60.39 -19.95 57.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.495 ' HB2' ' CD ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -156.77 112.0 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.706 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.33 157.61 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.654 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 6.2 mt -128.22 140.49 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -122.01 146.72 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.582 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -129.37 121.51 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -113.95 107.79 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER 32.96 86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 77.9 -84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -54.83 133.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.812 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 56.5 p-90 -129.37 165.37 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.576 ' CE1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.49 161.44 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.14 128.05 55.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.706 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 12.2 t -114.3 121.19 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.495 ' NH2' ' CD2' ' A' ' 138' ' ' LEU . 16.2 ptt180 -120.76 152.42 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -94.94 126.56 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.499 HD13 ' CB ' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -115.59 121.37 42.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.05 -89.87 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.39 22.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.496 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 8.7 mm100 -132.63 159.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 6.8 m95 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 5.5 m-85 -131.75 134.24 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.85 145.5 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.495 ' CD2' ' NH2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -143.07 139.19 30.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 138' ' ' LEU . 10.9 t30 172.08 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.422 ' OG ' ' ND2' ' A' ' 139' ' ' ASN . 20.1 p 172.19 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -69.08 -22.26 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.461 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.81 -3.62 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.29 26.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.351 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 144.47 -165.11 27.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 93.87 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.88 112.3 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -67.36 123.22 19.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 43.2 mt -117.75 116.01 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.39 146.02 36.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 112' ' ' ILE . 3.9 m-20 -55.06 -31.69 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.74 -23.03 31.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.556 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -85.02 -45.73 11.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.0 -48.04 70.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -65.69 -43.85 87.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.581 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.31 -36.72 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -65.52 -51.56 59.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 10.4 mt -58.28 -34.89 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.41 87.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.581 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -59.9 -48.5 81.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.532 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -67.62 -37.13 82.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.506 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -61.51 -46.63 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -70.97 -29.01 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.76 -28.96 62.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.86 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.699 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.27 108.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.4 OUTLIER -166.37 69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.995 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 160' ' ' LEU . 8.0 mt -134.92 136.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.709 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 141.71 51.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.53 ' O ' HD21 ' A' ' 96' ' ' LEU . 34.0 m -108.87 124.57 65.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 89' ' ' LEU . 3.8 t -86.96 110.24 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -115.05 141.23 48.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 135.03 -151.98 20.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.475 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -94.7 118.8 32.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -102.19 132.28 21.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.99 -168.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -135.43 159.13 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.51 -171.77 3.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 2.7 mm-40 -52.67 -37.98 59.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.499 ' CB ' HD13 ' A' ' 131' ' ' LEU . . . -55.6 -33.61 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.58 -40.72 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -80.02 -25.21 40.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 181' ' ' GLN . 86.2 mt -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.6 OUTLIER -62.13 -44.94 95.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.456 ' C ' ' H ' ' A' ' 7' ' ' GLU . 54.3 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.504 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 6.9 mtt -53.39 -9.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 5' ' ' SER . 16.2 pt-20 -52.9 -47.74 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.49 54.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.712 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 10.9 mt -103.21 123.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.712 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 166.24 -139.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.611 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 19' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.573 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 83.9 m -116.01 173.61 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.38 -25.5 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 3.1 tt0 -47.75 -33.55 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 t60 -54.69 -51.23 66.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 139' ' ' ASN . 26.4 m -65.68 -37.33 86.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 85' ' ' ILE . 34.8 tp -62.39 -45.68 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' CB ' ' NE2' ' A' ' 11' ' ' HIS . 30.9 m120 -60.02 -43.84 94.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.592 ' OD1' ' CG ' ' A' ' 11' ' ' HIS . 59.2 m-80 -71.7 -38.43 70.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' CD ' ' A' ' 129' ' ' ARG . 3.8 tp -65.39 -43.45 90.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.626 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 1.2 mp -74.81 -13.29 60.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 29' ' ' GLN . 1.2 tm0? 67.59 100.91 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . 118.92 -88.05 0.43 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER 156.45 -94.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 52.1 41.69 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.75 143.73 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.041 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -119.02 174.08 3.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.604 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.01 -46.09 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -55.96 -41.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.8 mt-10 -59.95 -41.61 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HG ' ' CG2' ' A' ' 84' ' ' VAL . 2.5 tp -59.93 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -58.2 -46.05 86.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -68.72 -48.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.702 ' O ' HD11 ' A' ' 45' ' ' LEU . . . -58.03 -41.52 83.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' SER . 16.4 m170 -68.96 -41.66 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -70.98 -47.14 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.81 -36.03 82.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 19.9 m-20 -65.52 -44.82 85.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -47.31 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -63.65 -46.24 86.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -65.39 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.5 ttp180 -71.31 -47.48 56.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.536 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 26.9 ptm -71.98 -48.65 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -58.1 -46.67 85.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.562 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.6 ptm -72.54 -39.03 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.45 -48.65 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -71.08 -30.61 66.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.19 -3.95 88.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.638 ' C ' HG13 ' A' ' 58' ' ' VAL . . . 93.11 -32.05 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.5 p 49.73 8.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.611 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.3 t 37.31 19.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.99 -51.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.044 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 9.1 mt-10 -53.2 -47.96 68.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 2.6 m-20 -56.86 -33.08 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.646 ' CD2' HG12 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.79 -53.41 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.08 -30.18 70.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.34 -50.29 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -78.99 -28.23 43.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.543 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 8.5 mt -55.12 -9.74 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 66' ' ' PHE . 60.3 mm-40 -89.51 -1.84 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.621 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.0 mt-30 -88.53 -49.36 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' HD3' ' HB2' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.06 -171.77 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -37.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' MET . . . -156.06 37.84 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 81' ' ' SER . 82.7 m-20 60.07 -85.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 19.9 ptm -172.83 157.09 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.47 178.69 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.16 18.14 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -96.98 -0.35 47.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.504 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 127.49 40.87 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.7 128.48 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 29.4 m-85 -110.07 158.57 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.537 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -67.78 139.73 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.71 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.78 -27.41 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.555 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -61.88 -25.67 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.611 ' CG2' ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -60.88 -39.11 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -65.3 -44.12 94.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 11.3 t -56.1 -45.57 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.677 HD22 ' HG ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -64.37 -38.28 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.63 -35.5 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.671 ' C ' ' O ' ' A' ' 94' ' ' LEU . 2.0 mt -67.81 -50.11 58.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.654 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.29 -45.19 84.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 88' ' ' ALA . 12.0 m -72.29 -22.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.626 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.4 m95 -81.8 -20.44 39.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.26 -38.09 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.671 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.55 169.73 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.5 pt-20 -126.93 153.36 45.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.5 125.78 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.478 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 1.2 pp -131.61 158.85 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.627 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -65.24 133.98 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 40.1 t80 -86.79 -44.02 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.4 OUTLIER -31.71 -48.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.634 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.4 t -16.63 104.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.41 14.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.6 mt-10 -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.657 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.5 m-85 -68.13 -46.52 70.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -55.54 -47.11 76.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -65.1 -40.05 94.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.2 -24.94 67.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.9 OUTLIER 129.85 60.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.657 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.85 118.47 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.605 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.08 154.35 40.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -75.0 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.536 HG21 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -77.36 -19.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.605 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -64.39 -16.89 63.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CG2' ' A' ' 169' ' ' VAL . 4.0 mm-40 -89.39 -178.14 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -112.78 -30.8 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.35 131.48 24.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -131.71 151.95 51.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.1 mt -124.62 142.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 144.56 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.504 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -134.93 125.53 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.66 108.33 16.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 36.28 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -103.61 112.06 24.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 5.9 t-160 95.25 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.842 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.6 p-90 -128.86 165.22 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.564 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -128.49 161.48 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.25 140.09 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 20.6 t -125.74 128.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.493 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.93 150.23 51.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -73.17 111.76 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 1.2 tp -108.27 121.94 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.508 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.76 -100.26 0.74 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 14.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -141.28 160.47 40.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 2.6 m95 -84.63 136.49 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.634 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 -132.87 140.03 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -91.53 149.65 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -144.24 134.53 24.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.409 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 25.9 t30 174.81 -72.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.1 t 174.54 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.564 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -68.47 -23.84 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.48 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.37 -2.85 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.05 27.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 144.43 -168.05 26.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -54.34 146.05 16.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.602 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 1.2 mt -94.19 123.45 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.0 mt -121.2 125.09 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 151.33 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 112' ' ' ILE . 1.7 m-20 -55.85 -34.81 65.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.57 -15.98 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.618 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -90.52 -43.22 10.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 24.0 tp -54.04 -48.43 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.441 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.75 -44.43 85.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -61.99 -35.47 78.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -65.82 -48.85 70.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 7.1 mt -60.74 -35.07 75.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.77 88.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.605 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -59.94 -48.43 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.64 -35.13 79.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -64.07 -46.88 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.33 -26.67 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.54 -33.67 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.5 -96.6 0.1 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.714 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.47 111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -175.27 76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' A' ' 99' ' ' PHE . 8.5 mt -134.73 132.33 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -124.05 117.91 25.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -88.24 123.13 40.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.536 ' CG1' ' CD1' ' A' ' 89' ' ' LEU . 2.8 t -86.74 120.71 36.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -126.36 133.8 51.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.41 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 142.52 -157.46 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 2.9 m-20 -86.96 119.51 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.24 132.42 21.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.95 -179.53 5.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.23 143.8 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 -166.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.64 -37.8 59.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.12 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.32 -34.91 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -75.52 -39.89 57.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.458 HD12 HG13 ' A' ' 9' ' ' ILE . 16.6 mt -61.75 -30.83 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.508 HD23 ' CA ' ' A' ' 132' ' ' GLY . 0.8 OUTLIER -56.62 -45.46 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.519 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -55.4 -9.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' SER . 5.0 mm-40 -64.89 -10.1 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.16 41.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.625 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.9 mt -87.14 123.61 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 156.89 -162.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.531 ' HB2' ' CG ' ' A' ' 26' ' ' ASN . 4.5 t60 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.544 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 4.7 p -115.66 155.42 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.728 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.98 -24.54 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.649 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.7 -37.22 8.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -54.9 -56.88 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' SG ' ' HB ' ' A' ' 127' ' ' THR . 49.6 t -60.45 -33.83 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 89' ' ' LEU . 9.8 tp -67.52 -38.67 84.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLN . 24.1 m-20 -61.45 -44.98 96.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' CG ' ' HB2' ' A' ' 11' ' ' HIS . 62.0 t30 -63.59 -44.07 95.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tp -63.04 -39.45 94.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.2 -32.75 70.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 27.6 tt0 150.14 -65.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -142.11 -178.13 17.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 4.7 tt0 -76.4 97.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -132.4 38.18 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' HB3' ' HG3' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -159.29 154.57 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.63 170.37 5.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.552 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.0 Cg_endo -75.04 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.84 -37.1 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.7 mt-10 -60.18 -44.08 95.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.649 ' CD1' ' HB2' ' A' ' 21' ' ' GLN . 4.3 mt -57.25 -42.12 80.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -62.98 -45.74 90.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.99 -35.43 76.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.58 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -70.95 -47.64 61.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -55.25 -47.34 75.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.1 m170 -68.01 -38.09 82.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 42.7 mt-30 -71.96 -34.7 69.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 ' CD2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -68.4 -46.64 69.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.4 t0 -61.0 -44.88 96.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 51' ' ' MET . 14.3 tt0 -74.01 -46.43 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -66.3 -53.67 33.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.9 mm-40 -59.69 -41.22 90.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.8 ttp180 -60.3 -49.14 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.577 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.1 ptm -73.11 -39.79 65.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -61.24 -51.06 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.585 ' HE3' ' CD1' ' A' ' 63' ' ' TYR . 9.4 ptm -72.31 -37.38 68.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -69.62 -48.51 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -71.67 -32.11 67.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.34 -5.68 89.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' HG12 ' A' ' 58' ' ' VAL . . . 93.19 -27.53 11.38 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.719 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 p 48.48 10.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.622 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.35 20.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.719 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 63.43 -50.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -53.13 -47.8 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.26 -33.22 65.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 53' ' ' MET . 0.1 OUTLIER -68.99 -53.34 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -28.49 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -70.13 -48.95 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.56 -36.3 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 63' ' ' TYR . 12.8 mt -46.29 -22.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 66' ' ' PHE . 27.0 mm-40 -61.47 -31.02 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.1 mt-30 -58.86 161.79 8.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.04 131.74 14.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.2 p -91.14 -152.74 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 98.22 -0.7 58.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 87.4 m-20 62.98 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.665 ' CE ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 ppp? -178.62 158.04 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.472 ' O ' ' SD ' ' A' ' 74' ' ' MET . 36.9 t0 -110.93 164.82 12.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.25 -1.36 12.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 p -75.23 -8.33 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . 121.15 42.28 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -152.49 134.22 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.665 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 77.7 m-85 -119.45 160.36 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.602 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.26 139.75 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.728 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -63.86 -26.85 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.539 ' CB ' HD23 ' A' ' 45' ' ' LEU . 1.2 mt-30 -61.32 -24.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.602 ' CG2' ' O ' ' A' ' 81' ' ' SER . 8.0 m -61.32 -37.59 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.508 HD12 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -68.18 -37.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 22.8 t -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.677 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 4.0 m-80 -65.34 -40.33 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 92' ' ' TRP . . . -71.03 -35.05 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.823 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.78 -50.59 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.58 -43.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 88' ' ' ALA . 18.0 m -75.65 -20.13 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -84.98 -21.15 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.66 -52.62 0.75 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.823 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -89.59 171.1 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 159.76 32.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.222 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.59 125.6 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.527 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.3 pp -132.6 158.95 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.86 138.83 58.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' O ' ' C ' ' A' ' 100' ' ' ASN . 25.8 t80 -90.07 -47.09 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.656 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -27.65 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -21.79 106.73 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.02 -14.88 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.03 -46.89 55.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.639 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.7 m-85 -68.02 -46.79 70.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -54.98 -47.0 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -64.63 -40.97 96.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -63.27 -25.08 68.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER 129.76 64.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.639 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.9 117.48 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.478 ' CB ' ' CG ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -107.77 153.58 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -75.01 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.86 -18.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.478 ' CG ' ' CB ' ' A' ' 110' ' ' ASP . 7.8 m-20 -59.98 -15.05 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 2.2 tp10 -94.95 -176.93 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -122.5 -11.14 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.415 ' HG ' ' CG2' ' A' ' 170' ' ' VAL . 0.0 OUTLIER -156.47 114.39 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -113.99 158.24 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.505 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.2 mt -128.64 133.48 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 24.2 m -120.91 147.64 45.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.9 OUTLIER -129.34 118.0 21.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -113.93 108.11 16.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 36.83 87.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 2.3 mp0 71.85 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -53.76 133.79 42.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.728 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 35.1 p-90 -129.18 164.46 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.566 ' CE2' HD23 ' A' ' 141' ' ' LEU . 32.7 m-85 -130.28 162.36 29.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.412 ' HB ' ' SG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -112.1 133.7 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.387 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 117' ' ' PHE . 5.8 t -113.5 127.45 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.534 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 1.8 ttp85 -123.56 157.35 33.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 17.1 pttt -85.44 128.93 34.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.802 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -111.44 92.52 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.5 -82.97 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.99 19.73 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -141.24 131.66 25.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CD1' HG23 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -82.95 131.75 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.006 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.802 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 6.2 p90 -135.17 138.04 43.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.98 147.4 43.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.37 137.77 30.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 140' ' ' SER . 1.2 t30 169.34 -74.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.8 OUTLIER 159.83 31.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -103.85 -28.38 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.574 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -103.05 1.67 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.47 21.36 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -179.48 158.73 22.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 88.74 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.71 115.5 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.514 ' HG ' ' CE ' ' A' ' 6' ' ' MET . 34.6 mt -68.38 131.89 46.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 135' ' ' TRP . 87.1 mt -106.48 113.92 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.25 144.1 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 112' ' ' ILE . 1.5 m-20 -55.21 -31.89 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.63 -16.75 43.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -90.39 -42.63 10.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.647 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -54.18 -48.32 71.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.95 -45.93 79.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.586 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.55 -35.63 78.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -66.23 -48.6 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 9.8 mt -59.44 -36.51 76.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.69 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.586 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -59.84 -48.56 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -67.76 -38.58 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.4 mt-30 -62.27 -45.8 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 159' ' ' GLN . 5.8 pt20 -71.09 -28.37 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.42 -29.01 61.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.89 -98.56 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 117.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 177.73 73.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 161' ' ' GLN . 2.2 mt -135.15 138.31 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.728 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 137.43 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.492 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -106.24 127.17 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 89' ' ' LEU . 4.6 t -89.56 119.88 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.25 142.78 51.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.545 ' O ' ' NH2' ' A' ' 115' ' ' ARG . . . 131.57 -159.2 23.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.4 t70 -89.59 118.6 29.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.528 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -105.11 133.81 19.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.528 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -124.83 160.43 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.33 -170.5 3.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 0.6 OUTLIER -62.79 -42.54 99.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.59 80.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.71 -35.03 72.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -71.67 -43.41 66.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.519 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 29.4 mt -60.47 -33.9 73.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.469 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER -56.97 -48.15 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.404 ' HG3' HD13 ' A' ' 183' ' ' LEU . 27.9 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.507 ' HE1' ' CE2' ' A' ' 136' ' ' PHE . 8.1 mtt -52.57 -16.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.13 -25.88 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.81 52.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 6.3 mt -90.03 123.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.734 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 165.1 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.55 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 9.1 t-160 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 19' ' ' CYS . 3.9 pp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' N ' HD11 ' A' ' 18' ' ' LEU . 26.6 p -115.49 173.87 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.751 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.66 -24.59 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -46.82 -34.16 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 23' ' ' CYS . 4.6 p-80 -61.98 -46.54 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.11 -38.97 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' HG13 ' A' ' 85' ' ' ILE . 25.9 tp -60.21 -46.37 89.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 5.6 m-20 -61.19 -41.81 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 11' ' ' HIS . 79.5 m-20 -71.93 -25.61 61.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.16 -47.67 27.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 21.9 mt -77.56 -20.43 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 29' ' ' GLN . 3.5 tt0 66.63 72.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 159.12 119.64 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -74.63 82.24 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.3 m-85 -129.93 45.05 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -159.0 153.0 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -129.6 -179.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.628 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.0 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -35.92 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 5.9 mt-10 -59.4 -49.67 76.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' CB ' ' CD2' ' A' ' 80' ' ' PHE . 9.0 mt -57.54 -42.19 82.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 14.7 t -60.82 -45.56 93.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -33.17 71.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.75 -48.51 57.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -57.01 -47.98 79.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.736 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.1 m170 -60.68 -48.16 83.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 16.1 mt-30 -65.06 -34.27 78.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.648 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.06 -48.42 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.03 -39.77 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 51' ' ' MET . 13.1 mt-10 -70.62 -47.75 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -73.49 -48.83 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' ' CZ ' ' A' ' 66' ' ' PHE . 20.0 tt0 -59.43 -35.88 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 14.6 ttt180 -71.19 -46.78 60.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 15.9 mtm -71.47 -51.47 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 ptm -72.9 -41.2 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.86 -48.82 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -78.11 -55.67 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -42.06 -22.51 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 97.19 58.85 1.0 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.622 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.5 p -50.7 -21.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.622 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 5.5 t 50.87 15.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.6 t 79.93 -43.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.43 -47.09 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.45 ' CB ' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -62.32 -33.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.37 -53.33 30.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -67.05 -27.47 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -50.03 44.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.65 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -78.91 -44.19 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 10.0 mt -35.46 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 26.1 mm-40 -49.01 -22.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -75.33 161.47 76.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -138.32 -131.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 82.28 33.84 24.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 76.8 m-20 64.37 -74.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.736 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -165.22 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.658 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 38.9 p-10 -109.59 157.91 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -136.34 8.58 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.2 -36.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.658 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -67.44 159.42 29.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 63.8 m-85 -120.28 160.65 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 8.7 p -66.47 139.79 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.728 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -58.56 -26.59 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.622 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 1.1 mp0 -60.98 -27.8 68.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 81' ' ' SER . 8.4 m -61.39 -36.39 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.506 ' CD1' ' CH2' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -67.16 -42.67 88.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.0 t -58.13 -44.85 88.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.666 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.5 -41.48 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.89 -37.13 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.674 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -67.29 -49.34 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -56.51 -44.64 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.2 m -74.82 -20.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.643 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -81.35 -21.06 39.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.7 -45.0 1.15 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.674 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.6 pt? -90.47 166.99 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG2' ' HG3' ' A' ' 171' ' ' LYS . 18.5 pm0 -122.34 155.63 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 168' ' ' PHE . 0.0 OUTLIER -124.4 126.32 45.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.9 pp -136.65 159.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.557 ' CD1' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.64 135.19 55.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' O ' ' C ' ' A' ' 100' ' ' ASN . 13.9 t80 -87.32 -45.19 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 166' ' ' SER . 10.3 m-20 -27.88 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.6 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 2.0 t -23.38 107.07 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.49 20.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 12.9 mt-10 -68.93 -47.01 66.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.675 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.18 -46.82 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.44 -46.47 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -66.54 -38.46 87.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.744 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.34 -24.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt-85 131.38 60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.675 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.7 117.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -107.51 153.94 41.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.611 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.96 -40.58 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.621 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -80.7 -19.12 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 7.4 m-20 -63.36 -12.82 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.3 tp10 -96.35 175.25 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.445 ' NH1' HD12 ' A' ' 174' ' ' LEU . 0.2 OUTLIER -115.11 -22.13 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.76 114.38 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.624 ' CE1' ' CG2' ' A' ' 169' ' ' VAL . 0.2 OUTLIER -118.02 141.75 48.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.594 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.1 mt -117.92 135.8 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.91 147.26 50.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -131.46 126.53 35.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.89 108.1 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.98 -89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.5 tt0 -108.08 112.75 25.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.0 t-160 97.0 141.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.751 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 39.9 p-90 -128.96 164.88 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -128.85 152.82 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 126.72 53.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 117' ' ' PHE . 8.9 t -107.78 121.56 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.34 151.53 35.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -80.18 123.62 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 1.3 tt -115.75 122.11 44.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 183' ' ' LEU . . . 51.71 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 15.04 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -135.31 137.6 42.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.621 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 5.7 m95 -73.0 124.8 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 3.7 m-85 -115.41 138.48 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.423 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER -94.07 144.09 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.423 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -140.94 127.54 20.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 126' ' ' PHE . 10.0 t-20 175.68 -67.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.1 p 165.06 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.612 ' CD2' ' CG ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.52 -19.31 64.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.438 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.01 -2.97 55.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.19 24.23 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.409 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.95 -176.18 25.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.44 4.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -46.78 158.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -102.29 124.01 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 41.7 mt -114.39 112.78 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.28 149.71 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.42 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -55.02 -33.56 62.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.1 t -83.92 -17.48 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.428 ' O ' HD11 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -85.16 -44.83 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.27 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.32 -42.42 88.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.636 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.04 -40.19 94.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -61.75 -52.08 65.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.882 ' O ' ' CD1' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.66 -32.43 70.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 162' ' ' GLN . . . -69.89 -34.52 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.636 ' CG ' HD23 ' A' ' 155' ' ' LEU . 1.2 mm-40 -68.91 -50.53 48.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.882 ' CD1' ' O ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -67.86 -32.14 72.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.631 ' N ' HD13 ' A' ' 160' ' ' LEU . 1.9 mt-30 -63.62 -46.57 85.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 158' ' ' ALA . 1.7 mp0 -71.43 -30.28 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 2.1 mm-40 -70.0 -39.48 75.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.633 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.73 -96.22 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.06 130.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.685 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.1 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -112.19 139.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.728 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -124.42 119.52 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.624 ' CG2' ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -86.07 122.41 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 89' ' ' LEU . 3.2 t -90.74 111.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 95' ' ' GLU . 4.5 ptpt -117.8 144.92 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 128.58 -150.08 18.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.417 ' O ' HD22 ' A' ' 94' ' ' LEU . 13.0 t0 -97.15 119.04 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.445 HD12 ' NH1' ' A' ' 115' ' ' ARG . 2.0 tm? -111.86 127.29 27.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.97 5.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -45.31 165.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.445 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 3.9 t -127.02 169.89 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.474 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.1 mt-10 -52.91 -42.48 65.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.28 -34.71 70.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.29 -37.99 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 5' ' ' SER . 12.3 mt -62.85 -30.34 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.477 ' CD2' ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.95 -46.41 82.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 31.6 mtp -52.93 -18.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.7 -34.31 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.98 58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.901 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.8 mt -96.13 122.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.901 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 156.56 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.635 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 3.5 t-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 2.3 pp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 29.9 p -116.33 174.09 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -56.42 -24.93 48.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 31.0 tp60 -46.84 -26.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -62.78 -49.1 76.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.536 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' LEU . 1.3 m -70.72 -31.96 68.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD2' HG13 ' A' ' 85' ' ' ILE . 48.5 tp -65.16 -46.14 82.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -63.52 -43.66 96.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.42 -24.91 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' CYS . 6.4 tp -74.39 -47.48 33.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.683 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -69.1 -32.69 72.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.59 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 80.45 18.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.789 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -149.49 121.17 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.644 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -76.66 92.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.789 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -144.12 43.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.07 154.79 26.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -130.12 -178.9 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -48.25 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.76 -36.67 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 2.5 mt-10 -62.75 -43.96 97.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.38 -39.15 75.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.611 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -66.02 -45.66 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.7 p -68.27 -31.74 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.06 -49.29 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -55.4 -48.12 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 39' ' ' SER . 8.9 m170 -63.09 -48.02 80.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 17.8 mt-30 -61.84 -34.59 76.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -62.85 -48.0 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.77 -41.83 91.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.47 -43.61 59.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.2 OUTLIER -70.02 -53.5 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.707 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.4 mp0 -59.77 -39.14 83.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 23.8 ttt180 -61.87 -49.94 74.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.7 ptm -73.73 -43.91 57.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -56.61 -51.72 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 28.6 mtp -72.92 -50.99 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -55.57 -48.8 74.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' C ' ' N ' ' A' ' 57' ' ' GLY . 2.5 mt-10 -78.82 -56.51 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.12 -19.25 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 96.5 56.62 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.62 ' N ' ' O ' ' A' ' 53' ' ' MET . 7.7 p -49.48 -22.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 0.714 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.3 t 51.54 13.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.371 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 58' ' ' VAL . 0.7 OUTLIER 80.76 -44.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -47.44 70.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.543 ' CB ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -66.57 -53.32 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -27.34 68.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -49.77 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.48 -43.08 27.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mt -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.4 mm-40 -48.69 -23.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -72.15 160.75 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 83' ' ' GLN . 18.3 Cg_endo -74.99 131.9 14.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -97.79 -154.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 96.64 6.54 58.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.84 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.498 ' HE2' ' CD1' ' A' ' 80' ' ' PHE . 23.8 ptm 175.69 -172.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -93.72 -176.1 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -81.4 -59.32 2.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 78.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.74 -36.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -145.84 148.4 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.4 m-85 -119.65 157.95 27.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.593 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 23.3 t -67.45 150.57 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.724 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.27 -26.95 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.364 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.9 mt-30 -61.87 -26.75 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.593 ' CG2' ' O ' ' A' ' 81' ' ' SER . 4.7 m -60.62 -37.48 75.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.513 HG13 ' CD2' ' A' ' 24' ' ' LEU . 1.1 mp -65.81 -36.48 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 30.6 t -64.52 -45.22 88.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.653 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -62.2 -39.52 93.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.612 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.33 -35.53 68.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.689 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -66.67 -50.05 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 13.5 ptmt -57.17 -46.76 82.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 88' ' ' ALA . 17.4 m -72.52 -19.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.1 m95 -82.79 -21.13 34.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.82 -45.3 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.2 171.02 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.2 pt-20 -128.61 154.72 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 20.2 tp -125.14 130.84 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.554 ' CD1' ' CG2' ' A' ' 169' ' ' VAL . 2.6 pp -134.18 159.47 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.35 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 18.4 t80 -89.04 -47.55 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.598 ' O ' ' C ' ' A' ' 101' ' ' SER . 26.2 m120 -24.94 -49.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -21.6 104.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.03 20.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.16 -46.86 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.611 ' CD1' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.43 -47.54 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.649 ' NE2' ' CE1' ' A' ' 99' ' ' PHE . 1.3 mt-30 -55.16 -46.49 75.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -70.1 -30.94 68.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -67.99 -26.28 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 8.1 ptt-85 133.37 55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.611 HD12 ' CD1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -127.54 121.09 56.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.452 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.19 154.72 40.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.96 -34.18 4.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.78 -29.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.7 m-20 -50.04 -23.69 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 4.6 mm-40 -94.21 134.15 36.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.504 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.1 OUTLIER -86.2 -5.74 59.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.14 103.9 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -114.44 158.27 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.538 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.1 mt -128.73 139.41 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.43 143.87 51.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -132.24 124.98 30.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.93 108.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 37.76 -90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.6 tt0 -106.21 112.18 25.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.623 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.8 t-160 98.28 139.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 44.5 p-90 -129.2 164.59 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.24 155.21 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.22 123.53 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 117' ' ' PHE . 16.9 t -105.35 121.93 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -123.25 160.57 26.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 4.9 ttpt -91.64 127.87 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.673 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 31.3 mt -119.17 122.21 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.38 -87.15 0.25 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -149.32 22.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 5.7 m95 -84.94 143.39 29.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 107.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.673 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 13.2 m-85 -143.77 136.41 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.547 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 1.6 p-10 -93.48 147.33 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -151.09 145.8 25.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 140' ' ' SER . 5.8 t30 175.51 -51.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.3 m 153.38 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -76.99 -30.03 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -84.1 -8.33 59.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.546 ' N ' HD23 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 49.66 22.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 157.69 174.44 27.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -74.96 84.39 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.18 158.1 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 136' ' ' PHE . 1.3 mt -102.17 124.49 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.547 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 42.5 mt -119.81 114.97 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 145.12 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.69 -32.49 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -83.93 -19.61 34.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.445 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -87.26 -43.37 12.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.412 ' O ' HD21 ' A' ' 153' ' ' LEU . 0.8 OUTLIER -54.04 -47.9 71.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.493 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.66 -44.22 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.584 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.07 -38.15 90.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -64.58 -51.92 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -58.26 -34.61 70.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.64 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.584 ' CG ' HD22 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.11 -48.34 82.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -68.11 -32.68 73.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.7 mt-30 -66.42 -46.52 76.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.78 -28.88 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.22 -33.25 65.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.712 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -167.88 -98.26 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.712 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.29 112.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.045 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -174.08 70.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.422 ' O ' HD11 ' A' ' 98' ' ' LEU . 9.7 mt -133.72 137.36 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.724 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -124.51 143.12 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.554 ' CG2' ' CD1' ' A' ' 97' ' ' ILE . 28.1 m -109.98 132.34 58.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.502 ' CG1' ' CD1' ' A' ' 89' ' ' LEU . 17.3 t -93.11 110.09 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.0 ptpt -113.06 144.92 41.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 121.77 -162.47 15.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.9 t0 -86.58 118.62 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.502 ' CD2' ' HD2' ' A' ' 175' ' ' PRO . 1.7 tm? -105.43 129.89 23.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.502 ' HD2' ' CD2' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.02 117.08 4.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.478 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.7 OUTLIER -60.88 152.0 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 7.7 p -116.71 -170.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.21 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -55.69 -33.8 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 183' ' ' LEU . 0.0 OUTLIER -58.15 -35.86 72.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -37.68 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 5' ' ' SER . 12.3 mt -62.98 -27.26 69.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.52 -29.32 61.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 6.4 mt-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.6 mtt -51.89 -15.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' SER . 44.0 mm-40 -66.98 -46.88 73.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' HD22 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -125.76 56.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.834 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -105.59 123.03 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 160.78 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.549 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.534 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 4.0 p -115.79 173.7 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.14 -24.88 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' CG ' HD22 ' A' ' 38' ' ' LEU . 1.3 tm0? -47.52 -31.53 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -56.83 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . 9.3 m -63.92 -33.9 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 89' ' ' LEU . 17.7 tp -65.04 -46.12 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 27.6 m120 -59.39 -42.08 90.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.549 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 2.0 m120 -74.75 -32.02 61.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' CYS . 6.3 tp -66.96 -47.57 71.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.782 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.36 -12.03 60.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 88.32 -14.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -152.71 146.23 14.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -61.02 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 68.76 35.07 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.63 154.85 25.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -128.58 179.36 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.08 -44.07 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.85 -42.03 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HA ' ' OG ' ' A' ' 40' ' ' SER . 19.0 mt-10 -62.92 -40.33 97.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.636 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 3.2 tp -61.83 -44.51 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 t -62.49 -38.73 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -74.2 -31.05 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.759 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.4 tt -71.86 -42.66 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -65.05 -47.37 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.5 m170 -61.27 -47.95 83.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLU . 28.7 mm-40 -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.77 -46.47 85.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 6.0 t0 -60.2 -44.55 95.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.3 mt-10 -73.35 -46.71 47.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.3 tt0 -67.33 -53.4 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.6 mt-10 -59.7 -38.95 83.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.7 ttt180 -60.85 -49.3 78.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.1 ptm -73.35 -43.34 60.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 51' ' ' MET . 1.3 ttt180 -61.49 -47.89 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' VAL . 5.4 ptm -72.56 -42.74 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.2 -48.8 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -77.48 -54.06 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.82 -20.26 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 99.16 60.1 0.88 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 p -45.55 -25.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.1 t 51.88 16.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 58' ' ' VAL . 8.3 t 75.4 -50.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -53.34 -47.16 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.04 -33.33 71.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.3 -53.6 34.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.534 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 9.1 mmm180 -67.12 -27.12 67.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -50.44 51.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.95 -43.05 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.1 mt -37.89 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' PHE . 38.8 mm-40 -50.04 -20.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.9 mm-40 -74.51 161.06 79.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -97.19 -170.81 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.07 -12.3 31.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.1 m-20 74.96 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.615 ' HE3' ' CD2' ' A' ' 80' ' ' PHE . 9.3 ptm 168.79 -172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.604 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.9 t0 -93.26 -175.96 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.49 -55.59 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.03 72.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.92 -37.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -143.35 145.23 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.5 m-85 -119.41 159.08 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -67.46 143.16 56.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.71 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -56.14 -27.7 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.7 mt-30 -62.95 -24.67 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.759 ' CG2' HG22 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -60.83 -41.31 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.512 HG22 ' CD2' ' A' ' 89' ' ' LEU . 1.1 mp -63.83 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.23 -43.22 98.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.734 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -61.0 -45.11 96.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -70.94 -32.73 69.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.763 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -66.31 -51.56 56.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.734 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.07 -46.34 82.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 88' ' ' ALA . 3.5 m -70.38 -20.95 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.782 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 1.7 m95 -83.07 -21.29 33.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.46 -53.04 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.763 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -89.5 166.15 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.33 161.17 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.22 125.61 44.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.537 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.2 pp -131.47 159.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.688 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.95 138.15 58.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.9 t80 -90.39 -44.88 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.797 HD22 ' N ' ' A' ' 166' ' ' SER . 83.0 m-20 -30.19 -43.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -24.9 109.05 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.43 20.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.6 mt-10 -69.4 -47.07 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.677 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.17 -47.04 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.5 -46.47 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.38 -38.41 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.61 -24.76 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.5 ptt180 131.09 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.677 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 118.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER -107.32 154.32 40.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.97 -40.9 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.426 HG13 ' OD1' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.4 -33.58 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 110' ' ' ASP . 3.1 m-20 -44.65 -26.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 112' ' ' ILE . 2.3 tp10 -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -111.2 1.29 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -146.02 100.27 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.661 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -118.63 154.93 31.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.53 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.7 mt -126.36 140.2 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 39.3 t -124.11 144.48 49.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 108.339 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.8 122.95 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.619 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -109.55 108.99 19.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.34 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -108.88 -73.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 143.51 52.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.812 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 51.0 p-90 -127.91 164.73 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.656 ' CD1' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.95 162.48 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.047 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.42 126.94 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.439 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 117' ' ' PHE . 42.5 t -106.11 124.23 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -126.72 148.31 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.52 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.7 tttt -72.45 122.3 21.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.679 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 8.3 mt -119.66 122.14 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 68.81 -104.38 1.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.69 12.17 6.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.486 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 11.2 mm100 -137.9 161.05 37.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 115' ' ' ARG . 3.2 m95 -83.67 142.27 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 9.4 m-85 -139.97 143.36 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.1 147.27 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.54 131.5 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 140' ' ' SER . 1.7 t30 178.8 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.431 ' N ' HD21 ' A' ' 139' ' ' ASN . 0.6 OUTLIER 165.72 -28.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.656 HD23 ' CD1' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.39 -23.68 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.479 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -86.83 -0.99 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.92 24.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 145.63 174.55 17.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.436 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.03 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 142.07 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -83.49 125.2 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 48.7 mt -115.38 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.35 149.78 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.426 ' OD1' HG13 ' A' ' 112' ' ' ILE . 4.2 t70 -56.42 -31.82 64.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.39 -11.06 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.527 ' O ' HD11 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -99.84 -45.77 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.29 -48.11 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.62 -43.66 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.7 -37.24 86.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -65.38 -51.91 57.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.17 -34.21 71.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.21 87.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.576 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -60.14 -48.69 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.529 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.07 -37.86 86.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.351 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.5 mt-30 -61.98 -46.35 89.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -70.74 -27.77 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -30.02 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.707 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.61 -95.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.707 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.94 119.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.98 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.797 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -178.09 68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 4.3 mt -134.9 136.73 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.45 134.6 53.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.8 p -102.09 123.92 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.53 ' CG1' HD21 ' A' ' 94' ' ' LEU . 4.5 t -86.74 110.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -115.06 143.29 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 129.3 -162.57 22.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.624 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 2.7 m-20 -82.58 119.25 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.538 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -111.09 134.43 21.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.538 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.5 Cg_endo -74.93 -161.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -143.26 151.34 40.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.82 -166.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.22 -40.52 64.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.611 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -55.69 -33.66 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.5 t70 -58.22 -48.67 79.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.42 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 5' ' ' SER . 1.6 tp -61.99 -40.1 94.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 184' ' ' GLN . 0.5 OUTLIER -66.21 -49.59 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.411 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 86.4 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.463 ' HA ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -54.02 -12.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 5' ' ' SER . 8.9 mt-10 -60.39 -40.56 91.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' CD2' ' A' ' 182' ' ' LEU . 7.9 t -129.18 42.23 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.9 mt -85.95 123.67 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 153.05 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.457 ' CE1' ' H ' ' A' ' 30' ' ' GLY . 3.1 t60 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HG ' ' SG ' ' A' ' 19' ' ' CYS . 1.7 pt? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.549 ' SG ' ' C ' ' A' ' 78' ' ' GLY . 85.3 m -114.86 175.12 5.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.759 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.06 -22.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.679 ' HG3' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.39 -32.32 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 8.9 p-80 -60.93 -52.83 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 2.9 t -60.63 -44.38 96.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 ' CD2' HG13 ' A' ' 85' ' ' ILE . 61.6 tp -56.45 -42.82 78.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.662 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 24.8 m120 -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.77 -30.26 66.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' HB2' ' A' ' 129' ' ' ARG . 5.9 tp -73.19 -45.14 58.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 20.2 mt -78.36 -31.04 48.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 177' ' ' CYS . 0.5 OUTLIER 66.08 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.808 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 112.06 0.29 26.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.746 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 1.7 pt-20 37.55 -102.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.808 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 26.4 m-85 88.51 -29.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.679 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 4.1 p90 -110.82 138.21 47.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.645 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -88.58 -174.29 0.46 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.671 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.02 -34.09 4.06 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.08 -42.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 10.0 mt-10 -58.71 -36.53 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.631 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.9 tp -63.63 -45.09 91.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.59 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.31 -46.31 86.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -30.09 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.525 HG21 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -71.02 -50.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 84' ' ' VAL . . . -55.47 -48.2 74.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 11.5 m170 -63.89 -44.57 92.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.5 mm-40 -65.79 -33.97 77.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -63.27 -48.04 79.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -74.14 -47.11 38.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.27 -51.38 38.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.695 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.4 tp10 -59.46 -43.17 93.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 8.9 ttm180 -59.56 -49.14 78.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.541 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.4 ptm -73.02 -44.68 60.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.4 tpp180 -59.97 -48.62 80.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.0 ptm -72.31 -39.6 68.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.54 -48.18 67.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -79.87 -33.69 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.05 -15.58 60.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 93.29 55.33 1.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' O ' ' CG2' ' A' ' 59' ' ' THR . 5.9 p -51.74 -17.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 3.0 t 49.18 16.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 m 76.32 -43.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 59' ' ' THR . 2.0 mm-40 -54.65 -46.89 74.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' CB ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.84 -33.36 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -63.94 -53.48 49.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.531 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.5 mmm180 -66.84 -26.98 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -50.21 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.88 -39.76 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.4 mt -42.0 -26.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' C ' ' A' ' 66' ' ' PHE . 32.6 mm-40 -54.59 -20.52 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.599 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.8 mm-40 -65.63 160.45 60.52 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 71' ' ' SER . 18.2 Cg_endo -74.97 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.586 ' C ' ' O ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -23.91 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.51 -22.01 32.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 74' ' ' MET . 11.1 m-80 -88.06 16.12 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.633 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 13.1 ptm 49.59 167.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.61 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 8.7 t0 -110.67 -175.69 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -125.84 -37.83 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -44.66 -55.76 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.549 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 167.85 56.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.95 124.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.671 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.0 m-85 -95.05 156.42 16.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.53 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -67.86 140.73 56.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.675 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -56.01 -27.71 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 11.1 mt-30 -62.25 -24.53 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.55 ' CG2' ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -60.75 -40.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.505 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -62.43 -40.5 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 3.4 t -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.621 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -60.98 -39.88 91.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 92' ' ' TRP . . . -73.05 -35.2 66.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.687 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -67.32 -50.47 59.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 88' ' ' ALA . 8.1 m -72.32 -20.87 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.594 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -82.54 -20.76 35.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.36 -40.87 1.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.687 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -90.5 168.69 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 171' ' ' LYS . 5.0 pt-20 -127.98 154.57 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -124.72 140.55 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' CE2' ' A' ' 104' ' ' TYR . 2.4 pp -147.47 159.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -64.51 142.86 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 9.9 t80 -93.62 -37.46 11.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.859 HD22 ' N ' ' A' ' 166' ' ' SER . 66.2 m-20 -36.81 -38.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -32.02 111.9 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.92 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.3 mt-10 -74.99 -46.8 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.628 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -66.02 -45.28 82.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.35 -46.88 76.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -67.42 -34.95 78.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -68.07 -24.83 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.4 ptm180 131.83 60.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.628 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.91 118.95 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.45 153.86 40.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.677 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -28.56 9.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.68 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.27 -18.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.6 t-20 -11.27 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.2 tt0 -38.57 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER 178.69 -83.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 115' ' ' ARG . 17.0 m 179.41 133.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.677 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -124.75 158.62 32.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.447 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 4.5 mt -130.13 142.88 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 33.9 m -127.57 144.53 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 1.2 t-20 -129.68 124.69 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -112.2 109.1 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 55.24 -85.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -109.5 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.74 141.1 57.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.614 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.759 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.2 p-90 -129.1 165.29 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.547 ' CG ' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.24 159.39 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.447 ' HB ' ' SG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -116.56 124.47 49.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 117' ' ' PHE . 3.6 t -107.46 123.94 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 1.9 tmm_? -122.13 144.15 49.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.471 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.45 116.12 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.624 ' HB3' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -101.22 120.18 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 65.83 -85.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.71 28.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.631 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 9.9 mm-40 -140.16 158.38 44.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.631 ' CZ3' ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -101.58 121.41 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.012 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 2.0 m-85 -122.01 134.64 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.93 143.09 28.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -146.28 137.34 24.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.592 ' O ' ' CB ' ' A' ' 140' ' ' SER . 7.5 t-20 175.16 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.7 m 151.44 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -78.31 -12.99 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -104.85 -7.58 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.476 ' N ' HD22 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 47.62 23.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 165.61 173.38 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.73 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 133.15 55.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.602 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 25.1 tp -89.82 131.2 35.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 10.0 mt -105.05 151.18 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.3 OUTLIER -89.89 151.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.611 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -57.82 -39.83 78.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 5.9 t -83.61 -8.59 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.573 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -98.03 -48.8 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.84 -48.26 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.02 -43.28 88.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.632 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.2 -35.27 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -64.57 -50.55 66.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 3.2 mt -61.11 -34.67 75.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.01 93.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.632 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -60.71 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.53 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.2 mt-30 -64.71 -46.46 82.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -71.01 -26.74 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.48 -31.2 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.674 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.01 -100.24 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.674 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 159.71 111.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.859 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -173.83 73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.8 mt -134.93 130.99 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.675 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -118.61 136.97 53.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.591 HG21 ' CE1' ' A' ' 117' ' ' PHE . 2.1 p -109.48 132.12 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.516 ' CG1' HD11 ' A' ' 94' ' ' LEU . 3.9 t -86.92 117.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -122.04 137.74 54.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.479 ' N ' HH12 ' A' ' 115' ' ' ARG . . . 132.39 -150.03 19.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 5.4 m-20 -95.36 126.16 40.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 174' ' ' LEU . 1.1 tm? -101.36 129.87 26.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.41 29.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.26 -177.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 27.5 p -176.73 169.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 0.5 OUTLIER -53.29 -41.46 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.475 ' CB ' HD13 ' A' ' 131' ' ' LEU . . . -58.39 -34.59 70.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 183' ' ' LEU . 6.3 t70 -58.16 -44.06 87.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 4.4 pt20 -78.3 -26.23 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 5' ' ' SER . 2.4 tp -68.14 -30.56 69.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 180' ' ' ASP . 1.1 pp -56.99 -43.09 81.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 183' ' ' LEU . 8.8 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.514 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 26.8 ttm -58.33 -11.64 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -130.7 53.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 110.036 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.748 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.6 mt -86.84 123.08 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.748 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.0 p90 163.62 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.499 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 10.4 t-160 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.492 HD13 ' N ' ' A' ' 19' ' ' CYS . 3.0 pp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 21' ' ' GLN . 29.6 p -115.74 175.16 5.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.28 -23.69 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -45.79 -38.48 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -60.24 -43.89 95.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.8 m -64.48 -33.17 75.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.739 ' CD1' HG13 ' A' ' 85' ' ' ILE . 5.1 mt -62.24 -46.49 88.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 7.2 m120 -61.98 -42.34 99.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 129' ' ' ARG . 1.2 t30 -74.96 -35.03 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 23' ' ' CYS . 2.2 tp -75.13 -48.32 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 97.7 mt -73.51 -20.13 60.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 77.62 17.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -151.04 124.72 1.75 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 25' ' ' ASN . 8.4 pt-20 -84.07 55.49 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -108.16 52.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -156.92 152.7 27.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.9 OUTLIER -132.21 -179.3 1.02 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.614 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.25 -41.39 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.03 -40.77 98.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.2 tp -64.61 -42.49 95.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -58.88 -45.77 89.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -29.99 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.588 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -69.88 -44.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.588 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.0 m170 -64.11 -44.94 90.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 mt-30 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -59.62 -44.47 93.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -60.48 -43.91 96.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.2 mt-10 -73.22 -47.48 43.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -68.88 -51.1 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.7 tm-20 -59.74 -39.09 83.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 30.3 ttt180 -62.93 -48.74 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.0 ptm -72.56 -45.88 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -57.73 -48.77 78.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.633 ' SD ' ' CE2' ' A' ' 63' ' ' TYR . 7.7 ptm -72.63 -39.84 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.94 -48.29 71.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.6 mm-40 -80.65 -55.15 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.25 -21.89 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 93.78 56.87 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.605 ' O ' ' CG2' ' A' ' 59' ' ' THR . 7.1 p -54.57 -17.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 8.3 t 51.34 15.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.1 t 75.37 -43.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 59' ' ' THR . 7.9 mt-10 -53.39 -46.45 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.55 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.81 -33.19 75.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.666 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.31 -54.15 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -67.35 -32.03 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -50.57 73.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.719 ' CD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.74 -31.78 41.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.719 HD21 ' CD1' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -41.02 -28.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' PHE . 12.8 mm-40 -50.1 -20.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.602 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -74.94 159.49 82.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 -149.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 88.15 12.61 65.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.54 -72.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.605 ' HE3' ' CE1' ' A' ' 80' ' ' PHE . 18.2 ptm 172.77 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.6 t0 -85.77 -175.83 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -83.27 -55.42 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.94 80.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.1 -33.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -141.9 145.01 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.686 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 90.7 m-85 -119.16 157.38 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.7 p -67.24 140.05 57.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.735 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -55.95 -26.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.617 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -61.23 -24.84 66.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 81' ' ' SER . 5.6 m -60.96 -35.42 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.739 HG13 ' CD1' ' A' ' 24' ' ' LEU . 1.4 mp -65.57 -43.98 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 t -59.38 -44.98 92.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.633 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -61.04 -43.01 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.586 ' HA ' HG21 ' A' ' 91' ' ' VAL . . . -72.43 -36.05 68.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.683 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -68.25 -50.01 56.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.3 -42.23 81.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.586 HG21 ' HA ' ' A' ' 88' ' ' ALA . 10.4 m -75.75 -21.22 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.585 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 1.9 m95 -81.84 -20.57 38.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.975 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.31 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.2 pt? -90.35 166.19 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.1 pt-20 -127.07 155.33 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 tp -124.76 138.84 54.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 169' ' ' VAL . 1.3 pp -142.84 159.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.13 131.42 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 19.8 t80 -83.12 -45.66 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.77 HD22 ' N ' ' A' ' 166' ' ' SER . 61.8 m-20 -30.67 -42.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.577 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 5.5 t -28.31 108.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.05 21.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 4.7 mt-10 -66.11 -47.91 72.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.707 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.7 m-85 -70.09 -47.6 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.72 -46.28 77.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -65.28 -40.65 94.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.04 -25.09 67.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.6 ptt180 130.78 60.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.707 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -127.1 118.18 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 3.1 m-20 -107.24 152.39 41.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -75.0 -36.29 2.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.624 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.72 -28.94 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.9 m-20 -52.08 -20.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.567 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.1 mm-40 -92.58 171.54 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -126.33 2.47 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.438 ' O ' HG21 ' A' ' 170' ' ' VAL . 9.4 t -153.12 96.62 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.663 ' CE1' ' CG2' ' A' ' 169' ' ' VAL . 0.4 OUTLIER -115.51 158.98 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.498 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 4.2 mt -130.01 139.26 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 5.7 m -115.45 147.53 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.54 118.01 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -111.71 135.02 52.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.592 ' HB2' ' CE1' ' A' ' 121' ' ' TYR . 17.1 mtmt 33.64 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tp10 -109.34 -59.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -68.08 146.59 53.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.4 p-90 -128.64 164.17 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.583 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 11.0 m-85 -129.39 162.58 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 125.85 54.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 117' ' ' PHE . 17.1 t -105.32 122.45 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.454 ' NH2' ' SG ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -120.62 153.87 36.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 126.59 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.617 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 7.9 mt -118.61 121.99 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.39 -98.57 0.59 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -136.88 17.31 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.427 ' OE1' ' OD1' ' A' ' 150' ' ' ASP . 8.3 mm100 -133.62 160.14 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.624 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 2.1 m95 -89.53 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.617 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 5.7 m-85 -135.17 142.12 46.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.492 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -84.83 135.22 34.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.69 117.98 24.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 141' ' ' LEU . 1.5 p30 177.58 -172.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.3 t -108.44 32.12 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.959 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 2.0 tp -103.19 -42.46 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.535 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -102.23 -7.49 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.516 ' N ' HD22 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 45.62 23.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.421 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.467 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -161.06 146.16 11.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.02 3.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -47.48 108.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -60.0 123.72 17.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.492 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 70.3 mt -104.67 124.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.98 147.0 54.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.427 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 2.6 m-20 -56.35 -32.55 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.68 -14.48 51.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.559 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -95.42 -46.56 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.88 -48.35 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.31 -41.14 90.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.624 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -64.64 -35.6 81.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.593 ' CD2' HD23 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -65.02 -51.64 60.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 6.8 mt -60.54 -34.65 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.07 94.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.624 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.69 -48.64 80.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -67.92 -35.14 77.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.54 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -64.66 -46.42 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -70.94 -27.64 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -73.59 -31.98 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.701 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -173.85 -97.49 0.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.18 119.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.987 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.77 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.1 OUTLIER -177.36 67.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.497 HD13 ' CG ' ' A' ' 160' ' ' LEU . 2.2 mt -134.73 141.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.735 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.5 m-85 -122.38 136.3 54.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.663 ' CG2' ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -103.7 123.73 57.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.516 ' CG1' HD12 ' A' ' 94' ' ' LEU . 3.0 t -87.9 112.93 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.418 ' HD3' ' CG1' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -121.2 135.19 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.92 -154.84 23.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.405 ' O ' HD21 ' A' ' 94' ' ' LEU . 69.6 m-20 -88.06 119.76 28.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -106.08 130.96 22.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.98 152.47 40.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.61 152.49 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.454 ' SG ' ' NH2' ' A' ' 129' ' ' ARG . 23.3 p -133.07 -173.02 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.73 -38.39 64.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.5 ' CB ' HD23 ' A' ' 131' ' ' LEU . . . -55.65 -34.73 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.457 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 0.7 OUTLIER -58.16 -36.28 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -80.5 -31.64 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 92.1 mt -60.27 -41.93 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -57.01 -47.4 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 183' ' ' LEU . 3.9 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.434 ' HB2' ' HB3' ' A' ' 182' ' ' LEU . 99.5 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 2.6 ttt -69.79 -1.55 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -75.87 -30.24 58.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 182' ' ' LEU . 0.2 OUTLIER -131.16 47.7 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.702 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.8 mt -93.89 123.38 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.702 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 167.08 -143.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.619 ' CE1' ' O ' ' A' ' 29' ' ' GLN . 3.1 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.67 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 1.4 pp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.67 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 30.4 p -116.58 173.87 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.775 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -58.71 -24.98 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.4 tm0? -47.34 -45.41 24.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 51.7 m-70 -53.98 -41.28 67.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -68.39 -39.36 81.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' HD21 ' A' ' 89' ' ' LEU . 8.6 tp -67.31 -41.18 85.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -59.32 -46.52 88.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.0 m-20 -69.97 -27.56 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -46.55 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.657 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 35.8 mt -81.92 -11.23 59.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.619 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 69.62 -56.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.717 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.57 122.85 23.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.8 tt0 -83.26 81.57 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.717 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 -129.73 46.78 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -159.56 154.95 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -132.43 -178.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.641 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' O ' ' OG ' ' A' ' 39' ' ' SER . 56.4 t -56.34 -35.59 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 36.7 mt-10 -57.95 -41.91 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 80' ' ' PHE . 7.3 mt -63.01 -35.64 80.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 25.2 p -64.92 -45.71 84.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -33.24 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.85 -51.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.495 ' CB ' HG11 ' A' ' 84' ' ' VAL . . . -55.88 -47.22 77.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 39' ' ' SER . 17.2 m170 -59.46 -48.08 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.664 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.35 -34.13 67.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.774 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 -47.96 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.5 96.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.32 -47.9 31.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -63.1 -45.9 89.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CD ' ' CE2' ' A' ' 66' ' ' PHE . 29.4 tt0 -65.11 -45.74 83.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.05 -48.21 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.569 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 25.9 ptm -72.39 -39.77 67.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.01 -51.39 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.675 ' HE3' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -72.83 -50.49 23.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.81 78.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -71.73 -58.17 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.15 -16.63 1.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 105.75 -33.84 6.21 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.706 ' O ' ' N ' ' A' ' 60' ' ' SER . 7.4 p 48.43 14.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER 33.67 23.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.706 ' N ' ' O ' ' A' ' 58' ' ' VAL . 1.4 t 63.47 -53.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 59' ' ' THR . 5.7 mm-40 -53.27 -47.72 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.609 ' CB ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -56.9 -33.23 66.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.588 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -62.35 -53.18 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.2 -27.01 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -50.78 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.675 ' CD1' ' HE3' ' A' ' 53' ' ' MET . 0.5 OUTLIER -79.6 -42.57 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 10.8 mt -37.34 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' PHE . 18.3 mm-40 -50.03 -21.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.3 mt-30 -72.7 162.43 74.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.2 Cg_endo -75.0 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -151.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 85.83 15.2 65.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 74' ' ' MET . 5.3 m-20 65.29 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 25.7 ptm 173.11 174.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 9.6 m-20 -110.65 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -146.17 27.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 t -107.98 8.59 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.16 41.73 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -159.46 137.03 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 111.014 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 62.5 m-85 -118.38 159.16 23.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.576 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.33 144.86 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -65.91 -26.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.655 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 1.5 mt-30 -60.84 -26.07 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 81' ' ' SER . 5.7 m -61.12 -42.08 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.521 HD11 ' CG2' ' A' ' 84' ' ' VAL . 1.1 mp -65.93 -42.47 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 34.9 t -56.55 -45.42 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.662 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 m-80 -65.55 -36.95 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.61 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -72.64 -35.41 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 94' ' ' LEU . 1.8 mt -67.52 -50.5 58.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -56.99 -46.48 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.61 HG21 ' O ' ' A' ' 88' ' ' ALA . 17.5 m -71.56 -21.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.657 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.97 -20.99 37.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.83 -40.01 1.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.665 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -90.8 168.73 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 171' ' ' LYS . 1.7 pt-20 -123.0 154.3 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.75 125.95 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.5 pp -137.1 158.65 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.358 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.668 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.94 124.12 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' A' ' 167' ' ' ILE . 1.2 t80 -73.0 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.688 ' O ' ' C ' ' A' ' 101' ' ' SER . 33.3 m-20 -32.37 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.3 OUTLIER 6.57 105.55 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.942 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.51 21.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.762 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 11.8 tt0 -72.57 -46.4 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 109' ' ' ILE . 4.0 m-85 -69.94 -46.14 65.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 101' ' ' SER . 77.5 mm-40 -53.88 -47.13 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -35.13 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.748 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -63.48 -25.3 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.748 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.0 mtt-85 130.94 55.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.564 ' CD1' ' O ' ' A' ' 104' ' ' TYR . 1.3 mp -126.83 121.93 59.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -106.46 154.71 39.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -75.04 -43.63 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.438 HG22 ' CE2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -73.62 -24.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.559 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -64.05 -13.8 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.489 ' CG ' HG22 ' A' ' 169' ' ' VAL . 6.8 tp10 -87.27 126.43 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 3.8 tmt_? -66.43 -34.63 78.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.14 113.2 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.691 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.76 152.19 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 1.6 mt -125.7 144.6 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.59 145.63 50.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.8 t-20 -129.6 124.87 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.654 ' CE1' ' HE3' ' A' ' 122' ' ' LYS . 11.2 t80 -113.69 115.57 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.654 ' HE3' ' CE1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 52.27 -89.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.6 tt0 -109.08 -61.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' ' OD1' ' A' ' 139' ' ' ASN . 17.5 t-160 -68.07 142.54 55.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.775 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.1 p-90 -128.32 164.37 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.599 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 1.4 m-85 -129.11 162.58 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.93 133.2 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.691 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 25.1 t -115.75 126.72 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.48 146.95 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 101.46 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.715 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -94.05 122.45 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.504 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.74 -92.74 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.38 20.19 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.531 ' CB ' HD22 ' A' ' 147' ' ' LEU . 14.1 mm-40 -141.08 160.8 39.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -88.71 133.27 34.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.715 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 2.3 m-85 -129.46 134.28 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' O ' ' HG ' ' A' ' 142' ' ' LEU . 0.1 OUTLIER -94.0 129.27 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.3 mt -139.02 146.47 40.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.656 ' O ' ' CB ' ' A' ' 140' ' ' SER . 15.1 t-20 173.99 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.6 m 145.63 1.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.599 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -89.91 -33.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.509 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -95.04 -6.31 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.19 24.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 174.3 158.03 17.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.2 6.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 133.93 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -79.59 123.45 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 66.9 mt -104.8 139.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 154.19 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.594 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -56.07 -39.23 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 4.1 t -83.53 -2.7 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.578 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 148' ' ' ILE . 1.4 tm? -53.87 -48.09 70.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.38 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.638 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.95 -36.55 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -64.37 -51.78 61.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.627 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.86 -34.68 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 162' ' ' GLN . . . -64.87 -42.97 94.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.638 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.56 -48.61 81.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -67.73 -34.29 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.2 mt-30 -66.31 -46.39 77.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 158' ' ' ALA . 50.0 mm-40 -70.78 -27.84 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.23 -33.5 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.702 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.3 -96.62 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.702 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.71 122.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.517 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 175.73 72.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.947 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 99' ' ' PHE . 15.4 mt -134.66 127.05 48.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.712 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.1 m-85 -114.14 128.0 56.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -98.67 126.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 94' ' ' LEU . 5.5 t -87.53 111.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.474 ' HD3' ' CG1' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -120.93 137.6 54.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 137.95 -153.77 22.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.3 m-20 -90.71 120.14 31.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.438 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 1.5 tm? -103.27 127.65 29.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 148.81 35.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.75 159.86 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 20.1 p -144.57 169.05 18.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.2 mm-40 -54.17 -42.63 69.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.5 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -56.41 -36.92 69.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.03 -38.7 76.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 184' ' ' GLN . 1.8 mt-30 -77.36 -29.73 53.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 8' ' ' SER . 95.5 mt -64.98 -35.92 82.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.549 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -56.54 -46.58 80.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 37.7 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.592 ' HE1' ' CZ ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -51.8 -17.68 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.13 -31.73 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.83 54.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.944 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.661 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 4.8 mt -91.14 124.09 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 154.05 -168.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.573 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.632 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD11 ' SG ' ' A' ' 19' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' ' 18' ' ' LEU . 78.2 m -115.99 173.74 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.725 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.04 -24.33 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.73 -45.29 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.614 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 14.7 m-70 -54.1 -48.17 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' SG ' ' ND2' ' A' ' 139' ' ' ASN . 4.4 m -64.38 -32.59 74.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 ' CD1' HG21 ' A' ' 85' ' ' ILE . 23.3 tp -66.76 -44.41 81.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 15.2 m-20 -60.53 -42.27 96.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.573 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 3.6 m-80 -74.9 -31.09 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -42.92 61.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.604 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -72.02 -3.07 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 82.63 -6.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -166.29 160.08 33.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.541 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -75.13 -104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 69.07 12.6 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 145.24 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.499 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.27 173.07 3.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.602 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.81 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.43 -35.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -61.4 -46.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD12 ' CD2' ' A' ' 80' ' ' PHE . 5.5 mt -57.0 -45.38 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.463 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -59.48 -45.69 90.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.12 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.608 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -70.04 -47.06 70.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.592 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -56.31 -47.51 78.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 12.2 m170 -68.61 -42.88 77.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' CD2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -65.74 -42.64 90.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -45.29 94.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -74.27 -44.14 54.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 31.8 tt0 -67.57 -45.81 74.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 66.6 mm-40 -62.28 -44.93 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 45.5 ttt180 -58.47 -48.91 79.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.517 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 26.8 ptm -72.96 -44.98 60.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -58.91 -48.3 81.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.2 ptm -72.53 -40.94 66.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -61.72 -48.56 80.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -83.33 -33.63 25.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -63.91 -10.21 37.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 85.44 48.6 4.71 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG21 ' CD2' ' A' ' 63' ' ' TYR . 2.7 p -43.3 -25.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.601 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 13.0 t 53.46 14.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.7 t 77.87 -43.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 59' ' ' THR . 41.8 mm-40 -53.29 -47.62 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.555 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -65.44 -32.9 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.698 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.98 -53.17 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -65.45 -27.39 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -49.7 49.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.44 -43.57 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.0 mt -37.39 -31.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.478 ' N ' ' C ' ' A' ' 66' ' ' PHE . 14.7 mm-40 -49.29 -23.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -69.19 166.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.01 129.69 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -157.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.07 10.66 74.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 81.9 m-20 64.78 -68.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.8 ptm 175.45 175.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 32.7 t0 -110.81 173.83 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -140.59 16.96 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 t -100.38 -1.19 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 125.1 48.48 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.83 121.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 26.4 m-85 -99.45 159.88 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.576 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.69 139.39 57.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.725 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.55 -26.68 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.48 ' HB3' HD23 ' A' ' 45' ' ' LEU . 3.9 mp0 -60.46 -28.13 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.608 ' HB ' ' CG2' ' A' ' 41' ' ' ILE . 4.9 m -61.45 -35.34 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.588 HG13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mm -65.73 -46.79 88.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 40.0 t -55.78 -45.66 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.595 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 3.0 m-80 -62.86 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.526 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . . . -73.65 -35.35 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -67.81 -50.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.1 -46.6 82.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 88' ' ' ALA . 18.5 m -71.21 -22.39 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.2 m95 -80.48 -21.38 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.69 -37.53 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.653 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -90.83 166.52 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' LYS . 9.9 pm0 -122.02 152.35 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.527 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 64.4 tp -124.89 136.23 53.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 169' ' ' VAL . 2.6 pp -146.37 158.22 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -65.36 133.7 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 11.5 t80 -82.81 -42.92 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.692 ' O ' ' C ' ' A' ' 101' ' ' SER . 2.7 m-20 -29.1 -60.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -4.74 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.86 19.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.5 tt0 -70.07 -46.91 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.697 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.0 m-30 -66.91 -46.15 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -55.45 -46.84 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -39.42 93.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -65.53 -24.91 67.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptt85 130.68 61.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.697 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.94 118.52 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.71 154.07 40.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.2 Cg_endo -75.01 -39.01 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -18.9 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.0 m-20 -64.83 -10.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.491 ' CG ' HG22 ' A' ' 169' ' ' VAL . 13.6 tp10 -89.67 155.08 19.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -100.96 -3.62 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -173.31 108.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.645 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.38 158.36 21.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.0 mt -123.03 144.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -125.11 140.46 52.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 108.313 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -130.08 126.89 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -113.97 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.93 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -108.76 -74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -59.28 140.17 56.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.725 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.0 p-90 -128.69 164.65 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.562 ' HA ' ' ND2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -128.5 162.71 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.63 131.82 56.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.645 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 13.8 t -117.57 121.23 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.13 153.38 46.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.551 ' HE3' ' CD1' ' A' ' 135' ' ' TRP . 6.7 mtpt -79.04 103.46 9.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.596 ' HB3' ' CG ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -89.11 122.41 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 68.85 -79.2 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 23.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 21.2 mm100 -141.06 158.79 43.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -80.97 115.92 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.596 ' CG ' ' HB3' ' A' ' 131' ' ' LEU . 3.2 m-85 -118.27 138.24 52.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.48 146.81 26.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.6 123.91 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER 167.44 -174.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.8 t -93.73 11.6 28.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 126' ' ' PHE . 1.4 tp -88.89 -41.62 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.473 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.26 -10.67 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.464 ' N ' HD23 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 50.07 19.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 177.46 170.14 39.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.3 134.97 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 136' ' ' PHE . 9.5 tp -87.07 125.49 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.44 ' O ' ' CE3' ' A' ' 135' ' ' TRP . 15.5 mt -104.6 140.38 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.42 151.04 26.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.65 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -55.0 -39.14 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 8.5 t -83.62 -16.5 45.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.48 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -85.61 -47.79 9.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.487 HD21 ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -54.22 -48.11 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.619 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.63 -40.77 98.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -61.16 -52.22 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.88 ' O ' ' CD1' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.04 -32.6 71.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.79 78.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.619 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -68.55 -50.48 51.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.88 ' CD1' ' O ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -66.63 -32.29 73.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.582 ' N ' HD12 ' A' ' 160' ' ' LEU . 2.7 mt-30 -64.02 -46.59 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -29.43 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.9 mm-40 -71.08 -41.77 70.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.604 ' O ' ' CG ' ' A' ' 165' ' ' TYR . . . -168.08 -96.08 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.604 ' CG ' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 158.17 127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.641 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.54 58.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.588 ' CD1' HD13 ' A' ' 160' ' ' LEU . 1.6 mt -119.93 127.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.725 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.2 m-85 -119.47 113.26 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -84.67 132.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 94' ' ' LEU . 4.2 t -89.87 111.54 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.9 134.02 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 133.2 -151.54 20.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.513 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 8.9 t70 -90.98 119.05 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.53 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -97.75 132.23 25.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 135.93 19.63 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 4.8 m-20 -82.74 152.1 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -137.02 -165.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.6 mm-40 -52.97 -37.78 61.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.82 71.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.443 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 24.4 t0 -58.26 -34.72 70.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . 0.412 ' OE1' ' N ' ' A' ' 182' ' ' LEU . 6.7 tm0? -74.12 -37.05 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 178' ' ' GLU . 13.2 mt -66.8 -29.06 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.77 -41.31 77.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.459 ' N ' HD23 ' A' ' 183' ' ' LEU . 15.0 mm100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.509 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 8.7 mtt -52.83 -16.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.86 -33.36 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.51 54.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 3.2 mt -89.47 123.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.1 m-30 154.14 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CE1' ' HA2' ' A' ' 30' ' ' GLY . 7.7 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD11 ' C ' ' A' ' 18' ' ' LEU . 3.2 pp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' SG ' ' CB ' ' A' ' 21' ' ' GLN . 27.3 p -109.11 175.37 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.726 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -49.9 -24.89 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 37.0 tp60 -47.02 -23.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -68.62 -49.74 56.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' OD1' ' A' ' 26' ' ' ASN . 4.5 m -63.32 -35.38 80.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 ' CD2' HG13 ' A' ' 85' ' ' ILE . 32.1 tp -67.22 -35.31 79.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 21' ' ' GLN . 26.5 m120 -66.42 -45.36 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.492 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -72.52 -35.91 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.68 -47.47 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.59 -7.74 46.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 76.95 -1.99 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -160.64 137.71 5.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -58.92 -106.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER 66.81 40.47 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CB ' HE21 ' A' ' 21' ' ' GLN . 0.2 OUTLIER -159.65 154.79 25.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.468 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -124.57 171.93 6.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.63 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -55.68 -36.05 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -60.64 -44.88 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.8 mt -57.42 -44.34 84.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -59.62 -45.64 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -39.63 77.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.98 -50.51 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -56.19 -45.49 79.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 17.3 m170 -68.08 -42.11 80.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 67.8 mt-30 -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -69.95 -43.02 72.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.31 -45.82 92.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.5 mm-40 -74.36 -47.1 36.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.552 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 4.9 mm-40 -68.31 -51.88 39.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.48 -41.66 90.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.4 ttt180 -68.49 -46.23 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 13.9 mtm -71.84 -51.67 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.9 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 16.6 ptm -71.05 -48.71 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 53' ' ' MET . . . -60.03 -36.85 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.7 mm-40 -65.75 -50.07 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.8 -6.42 11.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 92.96 -12.8 69.18 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.643 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.9 m 48.74 8.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 35.74 24.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 66.99 -54.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' THR . 13.3 mt-10 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' CG ' ' CG2' ' A' ' 59' ' ' THR . 35.7 m-20 -56.13 -35.15 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CD2' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -70.04 -52.93 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.9 mtp180 -67.07 -27.34 67.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -70.38 -50.55 37.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -79.03 -42.94 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 63' ' ' TYR . 10.7 mt -38.28 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' PHE . 36.1 mm-40 -51.7 -24.2 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -65.64 164.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.95 130.82 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -82.7 -152.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 79.52 1.91 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.8 m120 67.98 -67.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.355 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' ' 80' ' ' PHE . 22.8 ptm 176.71 172.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 7.2 t70 -110.69 176.03 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -140.87 19.68 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -100.26 12.68 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.94 22.99 5.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -141.95 132.54 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 61.6 m-85 -115.57 160.41 20.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.586 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 37.4 t -66.17 139.91 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.738 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -61.7 -26.21 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.453 ' N ' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -60.87 -25.89 67.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 81' ' ' SER . 9.7 m -61.66 -37.91 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.568 HG13 ' CD2' ' A' ' 24' ' ' LEU . 1.1 mp -66.76 -37.5 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.489 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 23.1 t -62.61 -45.01 94.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.66 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.7 m-80 -63.41 -40.38 97.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.568 ' HA ' HG23 ' A' ' 91' ' ' VAL . . . -69.69 -35.0 74.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.747 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.98 -49.98 58.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.14 -41.6 79.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.568 HG23 ' HA ' ' A' ' 88' ' ' ALA . 13.3 m -76.35 -21.24 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.716 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.6 m95 -82.78 -20.8 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.63 -46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 171.32 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' LYS . 2.8 pt-20 -128.95 156.37 43.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 7.4 tp -124.97 141.89 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.8 pp -147.14 158.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.96 135.45 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 167' ' ' ILE . 8.4 t80 -87.25 -43.23 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.644 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.7 OUTLIER -33.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.54 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.9 t -29.56 116.29 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.21 18.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 tp10 -75.46 -45.97 35.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.2 m-85 -63.76 -46.33 85.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.2 mt-30 -55.4 -46.99 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -65.26 -35.7 81.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -69.26 -24.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 48.3 mtp180 131.6 61.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.88 118.33 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 4.4 m-20 -107.23 153.98 40.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.665 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -75.03 -32.65 5.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.713 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -81.88 -26.72 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.5 t-20 -1.52 83.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 113' ' ' ASN . 51.2 tt0 -33.1 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' CZ ' ' O ' ' A' ' 170' ' ' VAL . 0.6 OUTLIER 176.66 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 128' ' ' VAL . 15.2 t -169.75 141.79 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.665 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -133.59 158.56 42.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.486 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 2.2 mt -126.32 140.32 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t -125.71 143.36 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.529 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -129.78 117.72 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -114.15 107.99 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 36.5 88.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 72.48 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.1 131.38 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.726 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 37.7 p-90 -129.5 165.17 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.604 ' CG ' HD22 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -128.86 160.68 31.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.52 121.36 44.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 117' ' ' PHE . 6.7 t -110.67 130.29 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.78 157.02 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -80.64 107.89 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.661 ' HB3' ' CG ' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -92.58 122.32 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.79 -80.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -152.0 24.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.493 ' CG ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -140.7 158.82 43.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CD1' HG23 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -84.69 115.55 22.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.661 ' CG ' ' HB3' ' A' ' 131' ' ' LEU . 3.7 m-85 -116.29 142.8 46.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.514 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -95.48 146.85 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -140.67 125.89 18.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 140' ' ' SER . 3.4 t30 -179.23 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.8 m 158.3 -22.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.604 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -70.66 -17.92 62.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.46 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.56 -1.93 56.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.44 23.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 142' ' ' LEU . . . 152.44 178.46 27.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.33 5.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 115.86 8.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.594 ' HB2' ' CE1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -66.62 128.17 35.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.514 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 9.2 mt -108.55 113.61 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.52 142.64 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -55.11 -28.42 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.6 t -83.58 -24.96 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.477 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -86.99 -44.43 11.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 153' ' ' LEU . 0.2 OUTLIER -54.06 -47.73 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.92 -46.05 79.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.88 -35.58 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -64.56 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.1 OUTLIER -62.09 -34.72 76.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.54 92.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.599 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.94 -49.24 78.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -61.16 -43.08 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -31.22 68.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.4 mm-40 -67.58 -38.28 83.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.721 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.74 -91.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.721 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 156.89 113.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -175.55 73.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' PHE . 11.4 mt -135.13 132.12 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.738 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -120.9 147.46 45.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.529 ' O ' ' CZ ' ' A' ' 115' ' ' ARG . 2.8 t -86.39 125.65 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -126.3 140.82 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 123.36 -158.21 17.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.562 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 4.9 t0 -89.07 118.43 28.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 2.1 tm? -107.97 129.81 23.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -84.04 155.42 22.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.75 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.96 -36.69 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.53 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 17.0 t70 -58.49 -35.49 72.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -74.13 -37.12 64.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 9' ' ' ILE . 28.1 mt -63.91 -33.98 76.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.57 ' C ' ' CD1' ' A' ' 183' ' ' LEU . 0.2 OUTLIER -56.85 -48.35 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.402 ' N ' HD13 ' A' ' 183' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 7.6 mtt -53.34 -16.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.01 -22.73 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.85 51.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.691 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 9.7 mt -95.93 123.29 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.691 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.7 p90 168.06 -151.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.578 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 2.6 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.611 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 2.7 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.568 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 31.6 p -116.06 174.01 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.828 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.43 -26.17 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -48.2 -32.35 6.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' CE1' HD11 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -54.92 -50.04 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 27' ' ' LEU . 68.0 m -67.65 -39.65 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 13.8 tp -63.39 -39.5 94.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -63.22 -46.35 87.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 10' ' ' PHE . 49.0 t30 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -65.21 -47.5 76.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 21.7 mt -74.63 -22.63 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 9.0 tp60 64.94 118.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.646 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 103.96 136.58 8.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -85.31 107.09 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 9.2 m-85 -144.32 -22.61 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.55 154.1 18.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -132.39 178.9 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.689 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.69 -36.27 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 12.3 mt-10 -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.6 mt -57.56 -45.36 85.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.24 -45.97 89.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -33.91 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.99 -48.46 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' HG13 ' A' ' 84' ' ' VAL . . . -55.06 -47.87 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 39' ' ' SER . 5.1 m170 -64.7 -47.63 77.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.616 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 4.4 mt-30 -63.07 -33.16 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -66.51 -44.11 83.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 19.5 t0 -60.56 -47.2 87.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.616 ' CG ' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -74.35 -38.87 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 40.4 tt0 -72.39 -55.09 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -60.26 -37.14 79.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.8 ttm180 -64.76 -49.37 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.9 ptm -72.55 -42.02 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.2 ttt180 -62.25 -49.93 73.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.503 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.0 ptm -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.32 78.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.62 -32.6 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -64.9 -9.25 39.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 88.71 50.71 3.26 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.623 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 p -40.05 -28.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.623 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.0 t 53.09 13.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 t 78.65 -46.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.64 -47.42 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.43 -33.37 74.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.36 -53.3 30.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -65.52 -30.49 71.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -49.89 65.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.63 -42.16 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 13.6 mt -37.59 -30.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 17.3 mm-40 -50.51 -22.99 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -68.13 162.94 55.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.0 -160.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 70' ' ' PRO . 11.8 p -34.49 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA2' ' OG ' ' A' ' 81' ' ' SER . . . 98.34 37.95 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.771 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.2 OUTLIER -136.94 11.3 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.771 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER 54.13 149.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 38.0 t0 -111.18 162.94 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.49 32.5 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -114.9 4.84 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.68 36.46 2.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -152.11 137.53 17.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.983 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.755 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 84.7 m-85 -112.31 159.54 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.649 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 1.3 t -66.98 139.5 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.662 HG22 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -60.28 -27.53 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 6.8 mt-30 -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.649 ' CG2' ' O ' ' A' ' 81' ' ' SER . 10.5 m -60.84 -39.88 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -63.31 -45.13 99.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 13.1 t -55.81 -45.49 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 1.8 m-80 -62.01 -39.13 91.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.2 -39.09 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.636 ' C ' ' O ' ' A' ' 94' ' ' LEU . 3.3 mt -66.54 -47.51 72.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -57.01 -48.77 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 88' ' ' ALA . 3.4 m -71.05 -20.77 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.661 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 2.4 m95 -81.56 -20.75 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.34 -38.88 1.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.736 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -90.29 170.37 10.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -125.51 150.88 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -124.73 125.93 44.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.517 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -142.51 159.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -64.34 136.52 57.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' OE1' ' A' ' 105' ' ' GLN . 7.8 t80 -88.78 -39.24 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.803 HD22 ' N ' ' A' ' 166' ' ' SER . 98.1 m-20 -29.17 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.63 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.3 OUTLIER -25.36 107.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.943 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.01 -14.97 20.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.4 tt0 -69.48 -47.19 64.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.669 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 5.1 m-85 -69.1 -46.65 67.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.23 -46.93 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 3.3 mtt-85 -64.8 -41.51 95.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.26 -24.75 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt180 129.65 63.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.669 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.89 119.6 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.638 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.88 154.92 39.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.611 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.95 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.657 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.61 -18.29 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.638 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -65.06 -13.66 58.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' HG3' ' CG2' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -91.64 -177.2 4.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -111.47 -49.06 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.581 ' O ' HG13 ' A' ' 170' ' ' VAL . 0.6 OUTLIER -124.58 118.71 27.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.667 ' CD1' HD13 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -114.06 145.53 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.633 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -120.71 141.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.0 t -127.5 142.94 51.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.322 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.2 OUTLIER -129.48 123.71 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.626 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.6 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 37.9 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.3 tt0 -106.51 113.13 26.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.2 t-160 95.52 140.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.646 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.828 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.1 p-90 -128.76 165.31 21.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.59 ' CD1' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.27 158.51 37.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.441 ' CG2' HD11 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -115.43 126.85 54.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.629 ' N ' ' O ' ' A' ' 117' ' ' PHE . 12.4 t -112.51 127.25 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 21.0 ptt-85 -128.98 146.63 50.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 20.9 pttp -70.95 120.99 17.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 9.3 tt -119.68 121.75 39.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.488 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 67.44 -108.07 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.27 14.62 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.43 154.57 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.657 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 9.3 m95 -76.94 137.2 38.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.6 m-85 -128.22 133.03 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.5 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -91.49 150.94 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -148.06 134.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB2' ' HB3' ' A' ' 126' ' ' PHE . 31.1 t30 175.67 -69.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.0 t 161.21 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.59 HD21 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -70.38 -22.14 62.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.532 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -86.47 -2.62 58.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.32 23.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 142' ' ' LEU . . . 151.07 176.8 24.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.421 ' CB ' HD22 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -48.3 157.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.503 HD22 ' CE1' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -102.12 123.71 46.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.5 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 15.7 mt -114.62 119.73 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.33 148.28 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -34.77 63.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.81 -17.18 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.433 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -86.89 -42.6 13.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.4 tm? -54.45 -48.36 71.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.518 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.64 -44.65 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.591 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.93 -36.46 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.547 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.69 -50.07 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 117' ' ' PHE . 4.3 mt -59.59 -34.74 73.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.39 87.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.591 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.73 -49.85 75.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -63.37 -38.76 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.7 mt-30 -60.92 -40.46 93.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -70.97 -33.68 70.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 159' ' ' GLN . 0.3 OUTLIER -64.69 -42.26 95.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.71 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.71 -87.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.71 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 156.23 121.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.759 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.803 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 179.65 72.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 118' ' ' ILE . 2.7 mt -135.5 128.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.662 ' CE2' HG22 ' A' ' 82' ' ' ILE . 2.3 m-85 -117.9 130.83 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.574 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 1.2 t -108.53 128.78 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.615 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -98.62 116.93 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.499 ' HB3' ' NH2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -114.43 143.82 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.37 -144.46 16.18 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.541 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 5.8 m-20 -96.66 118.8 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 1.6 tm? -102.87 126.3 33.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 162.16 37.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.405 ' HB3' ' CG ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -98.09 135.54 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 14.9 p -109.2 -177.29 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.87 -42.77 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.53 ' HB3' ' CD1' ' A' ' 131' ' ' LEU . . . -56.23 -38.21 70.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' HB3' ' A' ' 176' ' ' ASP . 1.0 OUTLIER -57.77 -34.56 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -40.75 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 5' ' ' SER . 8.2 mt -62.69 -27.08 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.488 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.46 -43.0 79.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.488 ' CG ' HD11 ' A' ' 183' ' ' LEU . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 7' ' ' GLU . 54.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.471 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -52.29 -11.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 5' ' ' SER . 14.5 pt-20 -53.08 -47.34 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.41 49.98 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.625 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt -86.19 123.78 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 159.46 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.524 ' HB2' ' CB ' ' A' ' 26' ' ' ASN . 3.0 t60 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.4 pp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.4 p -115.34 174.71 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.26 -24.97 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.499 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.2 tp60 -47.12 -32.49 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -57.09 -50.59 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.595 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -64.83 -39.25 93.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD21 ' NE2' ' A' ' 21' ' ' GLN . 7.4 tp -63.26 -42.44 99.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' C ' ' HD1' ' A' ' 11' ' ' HIS . 23.6 m120 -59.43 -45.64 90.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.43 -26.41 62.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.14 -47.21 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 58.0 mt -75.3 -1.46 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.75 -46.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.652 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -119.36 132.42 9.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.49 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 74.7 42.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.11 155.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.86 179.36 1.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -33.18 4.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.32 -46.23 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.2 mt-10 -60.99 -45.6 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.593 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.9 tp -57.03 -45.55 83.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -62.79 -37.8 88.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -75.1 -31.84 61.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.728 HG21 ' CG2' ' A' ' 84' ' ' VAL . 1.3 tt -71.71 -41.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -65.73 -47.46 75.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.2 m170 -60.88 -47.17 87.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.8 mt-30 -61.79 -34.05 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -64.4 -45.7 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -59.95 -44.7 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.9 mt-10 -73.73 -40.84 63.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 37.0 mt-10 -69.54 -55.55 9.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.28 -38.0 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.1 ttm180 -61.31 -49.81 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 23.4 ptp -73.3 -46.49 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.589 ' N ' ' HG3' ' A' ' 51' ' ' MET . 4.6 tpt180 -58.54 -47.9 82.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.609 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.9 ptm -72.19 -42.61 65.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.3 78.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' GLY . 1.2 mm-40 -80.54 -56.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -40.4 -23.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 103.42 58.0 0.74 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 53' ' ' MET . 2.3 p -43.61 -26.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.608 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.0 t 52.53 15.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 2.9 t 76.27 -51.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 65' ' ' THR . 15.5 mm-40 -53.51 -47.82 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.72 -33.47 70.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.585 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.32 -34.98 79.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -59.67 -50.68 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -79.27 -44.0 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 12.0 mt -35.55 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.1 mm-40 -47.77 -23.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -72.56 165.52 50.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.338 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.97 130.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -153.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 77.01 0.18 68.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 69.98 -60.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.606 ' HE2' ' CE2' ' A' ' 80' ' ' PHE . 24.7 ptm 177.18 -176.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.7 -176.32 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.67 23.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t -108.93 3.96 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.82 35.62 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -164.35 135.5 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.606 ' CE2' ' HE2' ' A' ' 74' ' ' MET . 61.5 m-85 -111.13 159.74 17.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 t -66.76 143.23 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.718 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -57.45 -27.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.6 mt-30 -63.17 -24.61 67.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.728 ' CG2' HG21 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -60.48 -43.77 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 24' ' ' LEU . 1.2 mp -60.54 -40.99 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 22.9 t -59.51 -44.18 93.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.644 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -60.98 -40.85 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.01 -34.65 69.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 94' ' ' LEU . 1.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.683 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -56.98 -44.65 82.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 88' ' ' ALA . 4.7 m -73.59 -21.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.77 -20.73 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.92 -39.59 1.84 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.683 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -90.41 169.09 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.1 pt-20 -124.83 152.87 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.76 125.14 43.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.554 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 1.5 pp -134.29 158.36 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -65.46 136.52 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t80 -85.99 -44.26 12.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.658 ' O ' ' C ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -26.79 -56.96 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.658 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -11.56 107.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.004 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HA ' ' HG3' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -75.0 -15.77 20.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.4 tt0 -66.73 -47.74 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 m-85 -69.87 -44.56 69.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HA ' ' HB ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -55.56 -46.72 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -66.47 -40.94 89.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -62.42 -25.14 67.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 20.6 mtt180 130.14 62.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -126.88 120.71 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 154.75 39.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.598 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.01 -35.93 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.486 ' C ' ' OE1' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -81.85 -18.84 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.61 61.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.655 ' HG3' ' CD1' ' A' ' 117' ' ' PHE . 2.6 pm0 -162.22 -178.53 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.585 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -117.0 -14.86 10.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 11.4 t -167.53 121.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.41 158.65 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.576 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.2 mt -125.58 135.98 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.97 143.38 51.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.73 126.05 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.12 -90.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 16.6 tt0 -107.06 111.8 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.0 t-160 97.19 139.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.764 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 40.7 p-90 -128.81 165.06 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 2.3 m-85 -129.02 161.35 30.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.4 ' HB ' ' SG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -113.43 126.65 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 117' ' ' PHE . 57.1 t -105.28 121.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 130' ' ' LYS . 55.8 ttt-85 -118.41 152.96 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -94.39 126.06 39.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.649 ' HB2' ' CE1' ' A' ' 136' ' ' PHE . 3.4 mm? -110.19 121.63 45.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.497 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 65.23 -84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 30.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.61 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 15.2 mm-40 -140.68 160.38 40.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.645 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -98.32 130.65 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 131' ' ' LEU . 4.2 m-85 -131.56 143.46 50.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.524 HD21 ' N ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -95.35 133.91 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.524 ' N ' HD21 ' A' ' 137' ' ' ASN . 0.4 OUTLIER -139.5 138.53 36.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 140' ' ' SER . 12.4 t-20 174.43 -46.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.8 m 144.9 -19.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.64 -29.48 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -97.94 -9.25 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.517 ' N ' HD23 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 45.67 23.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 176.1 154.79 11.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 65.06 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -54.23 144.54 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.547 HD22 ' CZ ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -88.59 125.13 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.481 ' N ' HD21 ' A' ' 147' ' ' LEU . 31.2 mt -104.84 146.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.645 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -54.91 -37.66 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 6.0 t -83.52 -3.37 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.56 ' O ' HD11 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -104.23 -48.9 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.413 ' O ' HD21 ' A' ' 153' ' ' LEU . 1.4 tm? -54.0 -47.94 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.72 -44.44 81.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.598 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.87 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -62.24 -52.07 65.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.59 -34.46 74.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.33 88.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.598 ' CG ' HD23 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -65.52 -48.52 72.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -65.28 -34.11 77.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 9.5 mt-30 -64.71 -46.82 80.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -71.16 -27.05 63.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.3 -32.44 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.95 -96.67 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 157.07 115.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -177.93 73.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . 0.6 ' O ' ' N ' ' A' ' 99' ' ' PHE . 10.1 mt -134.83 130.1 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.718 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -120.78 143.02 49.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.586 ' O ' HD22 ' A' ' 96' ' ' LEU . 10.8 p -112.26 128.89 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -86.88 110.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.88 138.33 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 131.62 -157.42 22.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 20.0 t0 -85.36 120.04 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 1.7 tm? -110.97 125.57 30.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.462 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.04 159.34 41.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -97.12 153.18 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 p -124.84 -173.01 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 108.332 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 181' ' ' GLN . 1.2 mm-40 -53.31 -38.03 62.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.597 ' CB ' ' CD1' ' A' ' 131' ' ' LEU . . . -55.72 -33.54 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 31.9 t70 -58.28 -40.57 82.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.93 -36.56 64.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.453 ' CB ' ' HB2' ' A' ' 5' ' ' SER . 45.2 mt -64.75 -27.61 69.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.497 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 0.7 OUTLIER -56.87 -49.6 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 183' ' ' LEU . 1.7 mt-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' HD13 ' A' ' 186' ' ' ILE . 18.3 Cg_endo -75.05 -5.47 16.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 86.12 -47.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . -148.11 113.56 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.5 p -67.37 -48.91 66.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.413 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.9 -13.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 21.1 mm-40 -52.81 -33.72 50.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.07 58.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 8.1 mt -87.43 123.67 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 156.52 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 26' ' ' ASN . 11.0 t-160 -100.07 135.91 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' HIS . 1.4 pt-20 -49.26 -103.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 1.6 ttmm -83.34 122.71 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' OE1' ' OD1' ' A' ' 26' ' ' ASN . 15.5 tp60 -121.95 117.93 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.0 66.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.05 81.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 50.0 m -117.73 110.82 18.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 4.0 pp -175.04 -50.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.505 ' SG ' ' CD1' ' A' ' 18' ' ' LEU . 29.4 m -115.02 174.55 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.736 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.4 -24.05 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.531 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.1 tp-100 -46.39 -22.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.465 ' CE1' HD22 ' A' ' 26' ' ' ASN . 31.0 t60 -69.95 -52.14 26.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 139' ' ' ASN . 1.8 m -61.52 -36.5 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 33.1 tp -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 16.9 m120 -61.22 -42.98 99.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.543 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 38.5 m-20 -68.91 -40.54 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.44 -46.95 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.679 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.53 -9.06 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.94 -5.35 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.731 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.24 131.56 2.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -56.19 -108.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.731 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.2 m-85 75.04 13.53 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -128.89 147.54 50.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 2.3 m -111.99 167.33 9.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.621 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -32.73 5.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.11 -41.96 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.4 mt-10 -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.531 ' CD1' ' HB2' ' A' ' 21' ' ' GLN . 1.4 mt -56.73 -45.12 82.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.595 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -64.32 -43.31 95.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -40.59 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.6 -44.33 98.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -62.46 -47.14 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.9 m170 -62.17 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 6.3 mm-40 -62.37 -34.53 76.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.37 -46.5 86.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.19 -44.43 95.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -72.05 -40.47 68.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 51' ' ' MET . 8.8 mt-10 -74.33 -53.68 9.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.3 ttp180 -70.17 -48.84 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.6 ptm -72.44 -45.85 57.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.32 -50.08 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.529 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 1.8 ptm -72.15 -42.77 65.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.3 -48.69 74.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -63.18 -60.61 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.17 -13.31 3.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.644 ' C ' HG11 ' A' ' 58' ' ' VAL . . . 99.22 -20.61 49.33 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.8 p 49.65 7.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.633 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t 35.92 20.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 65.64 -50.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 1.8 mm-40 -53.43 -47.56 69.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 7.6 m-20 -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.72 -53.1 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -27.28 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -69.79 -49.61 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.27 -41.74 33.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.0 mt -40.14 -28.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' C ' ' A' ' 66' ' ' PHE . 21.3 mm-40 -53.14 -26.74 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.521 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -63.99 164.68 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.0 129.37 12.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -84.85 -151.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.97 2.17 84.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 74' ' ' MET . 8.2 m-20 62.8 -72.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLY . 22.9 ptm 177.55 165.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.0 t0 -110.32 -178.51 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.43 21.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -98.48 3.64 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.73 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -164.76 141.92 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 36.8 m-85 -119.5 158.64 25.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.511 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.36 139.47 57.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.027 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.702 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.34 -27.25 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.5 mp0 -61.75 -24.69 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.519 HG13 ' CB ' ' A' ' 42' ' ' ALA . 3.7 m -60.81 -39.03 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -65.3 -38.33 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 36.0 t -61.65 -45.33 94.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.672 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -61.83 -42.01 98.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.585 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -71.02 -34.63 71.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.679 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -65.58 -49.99 66.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -57.36 -47.71 80.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 88' ' ' ALA . 9.3 m -70.7 -19.96 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -83.74 -20.77 32.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.32 -42.1 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.679 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.4 pt? -90.23 170.48 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 171' ' ' LYS . 8.8 pt-20 -127.03 154.45 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.74 125.77 44.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.498 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.2 pp -136.22 159.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.23 141.64 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.512 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.6 t80 -93.31 -43.47 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.691 HD22 ' N ' ' A' ' 166' ' ' SER . 16.2 m-80 -31.62 -45.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.604 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.6 t -21.65 106.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.48 20.73 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.7 mt-10 -70.67 -47.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.688 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -69.53 -47.01 65.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -54.91 -47.1 74.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -64.72 -41.69 95.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.767 ' O ' ' HG2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.41 -23.43 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 1.2 mmt-85 127.78 64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.688 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.04 117.82 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -107.5 153.93 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.606 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.03 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.419 HG21 ' O ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -82.09 -23.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 2.8 m-20 -57.45 -20.13 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -87.63 -174.12 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 174' ' ' LEU . 0.0 OUTLIER -120.38 -29.84 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.9 t -137.95 121.87 17.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.62 ' CE2' HD21 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -120.68 153.2 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.514 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.3 mt -126.9 141.02 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.3 146.71 49.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.5 OUTLIER -130.01 125.89 36.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -110.78 108.28 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 53.95 -84.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -109.11 -68.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.349 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -63.68 144.86 56.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.592 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.736 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 41.7 p-90 -128.7 164.38 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -129.35 162.12 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.82 128.9 56.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 117' ' ' PHE . 18.9 t -109.21 127.41 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 21.8 ttp-105 -123.83 136.74 54.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -80.73 104.02 10.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.597 HD23 ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -98.57 122.29 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 69.2 -97.83 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -136.06 16.38 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.492 HE22 ' N ' ' A' ' 150' ' ' ASP . 7.9 mm100 -137.34 160.36 39.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CG ' ' HG ' ' A' ' 153' ' ' LEU . 89.1 m95 -89.44 144.14 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.597 ' CD1' HD23 ' A' ' 131' ' ' LEU . 2.4 m-85 -134.2 124.41 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.41 137.85 38.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.96 131.19 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.421 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 26.9 t-20 176.68 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.4 ' N ' HD21 ' A' ' 142' ' ' LEU . 11.6 p 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.559 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.4 -23.3 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.459 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.73 -2.34 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.82 25.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 146.52 -169.42 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HB2' ' CD2' ' A' ' 136' ' ' PHE . 18.2 Cg_endo -75.05 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.45 102.86 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -62.2 125.28 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.462 ' O ' ' NE2' ' A' ' 134' ' ' GLN . 90.4 mt -118.4 119.93 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.44 154.18 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.492 ' N ' HE22 ' A' ' 134' ' ' GLN . 0.6 OUTLIER -58.73 -34.56 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.4 -9.76 58.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -96.89 -43.9 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.452 ' HG ' ' CG ' ' A' ' 135' ' ' TRP . 1.1 tm? -54.37 -47.96 72.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.569 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.22 -39.44 94.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -64.5 -51.67 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.62 HD21 ' CE2' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -58.17 -34.51 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.5 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.569 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -61.33 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -67.01 -36.39 82.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.2 mt-30 -62.73 -46.54 87.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.85 -28.49 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -29.42 61.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.31 -98.81 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.706 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 106.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.962 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.691 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -167.72 70.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 161' ' ' GLN . 4.1 mt -134.25 136.99 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -122.26 127.65 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.538 HG22 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -91.9 120.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 94' ' ' LEU . 4.4 t -90.11 111.25 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.451 ' HG3' ' CG ' ' A' ' 95' ' ' GLU . 11.9 ptpt -117.41 144.81 44.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 130.99 -153.81 20.5 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.426 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.8 m-20 -92.75 119.36 32.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 1.6 tm? -108.41 125.64 31.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.96 157.12 43.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -93.14 151.33 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 179' ' ' ALA . 21.4 p -131.06 -165.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 3.8 mm-40 -53.02 -42.54 65.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.491 ' CB ' HD11 ' A' ' 131' ' ' LEU . . . -55.6 -39.27 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.9 t70 -58.36 -35.11 71.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' A' ' 185' ' ' MET . 65.6 mt-30 -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 5' ' ' SER . 17.7 mt -61.77 -30.8 71.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 184' ' ' GLN . 0.4 OUTLIER -57.01 -44.19 82.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.49 ' HB2' ' CD1' ' A' ' 183' ' ' LEU . 4.3 mt-30 -161.8 -68.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 181' ' ' GLN . 1.9 ttt -42.85 107.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.491 HD13 ' CD ' ' A' ' 2' ' ' PRO . 37.8 mm -90.3 158.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.414 ' N ' HG21 ' A' ' 186' ' ' ILE . 0.0 OUTLIER -52.24 -55.03 23.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 59.1 t -43.36 118.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -177.53 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' CD ' HD12 ' A' ' 186' ' ' ILE . 18.2 Cg_endo -75.05 -171.28 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.24 -49.05 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.64 120.34 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 182' ' ' LEU . 26.3 p -74.99 -49.01 21.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.572 ' CE ' ' CE2' ' A' ' 136' ' ' PHE . 1.8 ttt -53.72 -13.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -53.84 -35.19 61.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -151.67 59.3 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 4.8 mt -92.69 124.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 160.63 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.62 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 10.1 t-160 -111.65 136.13 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -47.65 -101.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -79.8 124.53 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.591 ' OE1' ' ND1' ' A' ' 11' ' ' HIS . 5.7 tp60 -136.18 118.04 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -125.1 95.84 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' SER . . . 173.29 -73.06 0.1 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 33.64 37.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 0.719 . . . . 0.0 110.004 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.534 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -121.14 -52.02 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.599 ' CB ' ' CD2' ' A' ' 80' ' ' PHE . 85.5 m -115.06 174.36 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.93 -25.88 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.3 -25.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -61.74 -50.21 73.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 138' ' ' LEU . 2.2 m -68.26 -39.67 82.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD2' HG13 ' A' ' 85' ' ' ILE . 23.0 tp -61.94 -45.89 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.631 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 15.4 m120 -59.42 -44.72 92.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.533 ' OD1' ' OE1' ' A' ' 14' ' ' GLN . 2.2 m120 -72.09 -28.14 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -47.42 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -72.18 -24.44 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 tp-100 68.0 112.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.659 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 102.11 102.46 2.64 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -58.22 101.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.659 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 6.3 m-30 -116.9 -45.01 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CE1' ' ND2' ' A' ' 25' ' ' ASN . 2.8 p90 -100.99 154.96 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.546 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -106.75 -178.76 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.618 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.86 -41.82 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 5.1 mt-10 -58.26 -38.99 78.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.608 ' HG ' ' CG2' ' A' ' 84' ' ' VAL . 2.6 tp -59.56 -45.66 91.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -58.8 -46.32 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -33.65 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.0 -46.9 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -55.91 -47.91 76.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.6 m170 -61.79 -48.0 82.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.675 ' O ' ' N ' ' A' ' 48' ' ' GLU . 62.4 mt-30 -65.23 -33.79 76.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.42 -48.02 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -61.57 -45.13 95.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 mt-10 -74.0 -46.7 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.675 ' N ' ' O ' ' A' ' 44' ' ' GLN . 26.5 tt0 -68.43 -52.24 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.3 tp10 -59.53 -41.66 90.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.0 ttp180 -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.2 ptm -73.43 -42.63 61.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.8 tpp180 -59.42 -50.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 5.9 ptm -71.38 -42.11 68.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.32 -32.02 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.51 -7.54 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 86.67 51.96 3.29 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.63 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 p -40.33 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.63 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.6 t 52.72 14.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 58' ' ' VAL . 7.4 t 77.13 -49.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.3 -47.43 69.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 49.8 m-20 -61.85 -33.3 73.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.53 -53.64 44.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.554 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.2 mmm180 -67.09 -27.2 67.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -50.39 42.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.32 -44.52 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 11.5 mt -35.26 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 23.1 mm-40 -47.41 -22.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -76.32 164.45 59.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.02 132.23 15.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.6 p -102.59 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 90.08 12.32 62.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.2 m-20 64.76 -73.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.5 ptm 174.02 176.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -110.79 -176.72 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.51 13.74 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -87.99 -11.45 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 123.53 43.92 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -155.17 126.14 7.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 41.6 m-85 -102.22 159.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.637 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.39 147.93 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.699 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.55 -27.58 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.501 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.36 -25.03 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.637 ' CG2' ' O ' ' A' ' 81' ' ' SER . 4.8 m -61.17 -40.27 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.531 ' CG2' ' CD2' ' A' ' 89' ' ' LEU . 1.2 mp -62.37 -39.96 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.641 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.0 m-80 -61.25 -39.84 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 92' ' ' TRP . . . -72.61 -34.57 67.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.716 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.47 -50.24 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.17 -46.93 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 88' ' ' ALA . 4.4 m -70.93 -21.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.616 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.9 m95 -82.95 -20.73 34.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.63 -39.71 1.83 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.716 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -90.55 169.21 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.4 pt-20 -131.71 155.12 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.509 ' CD1' ' HB3' ' A' ' 168' ' ' PHE . 12.0 tp -124.9 136.58 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 171' ' ' LYS . 1.5 pp -138.57 159.06 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.63 123.86 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' C ' ' A' ' 100' ' ' ASN . 58.3 t80 -72.39 -51.1 21.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.676 ' O ' ' C ' ' A' ' 101' ' ' SER . 24.9 m120 -23.74 -64.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.676 ' C ' ' O ' ' A' ' 100' ' ' ASN . 3.4 t -8.36 110.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -28.9 8.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.0 mt-10 -61.11 -46.7 89.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.586 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.9 m-85 -65.29 -46.54 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.8 -46.26 78.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -68.05 -32.69 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.735 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -69.68 -25.37 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.735 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 16.2 mtt180 133.28 57.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.586 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -127.0 117.77 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 1.4 m-20 -107.51 151.09 40.85 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.97 -33.42 4.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.629 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.06 -22.56 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.3 t-20 -20.35 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 2.3 pt-20 -30.34 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -175.84 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 115' ' ' ARG . 21.3 t -124.21 120.02 31.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.694 ' CD2' ' HB ' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.15 158.1 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.648 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 4.2 mt -127.94 148.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 5.1 t -127.48 145.84 50.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 166' ' ' SER . 1.6 t-20 -133.95 122.75 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -114.02 107.99 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.24 -90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -104.64 111.49 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.614 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.1 t-160 97.24 139.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.575 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.791 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 53.1 p-90 -128.92 165.0 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.032 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.589 ' CG ' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.95 158.67 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.55 135.93 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.694 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 15.6 t -123.63 130.68 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -131.58 143.82 50.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -71.42 106.64 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -92.3 117.87 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.409 ' N ' HD11 ' A' ' 131' ' ' LEU . . . 58.95 -95.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 7.5 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.807 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 131' ' ' LEU . 16.9 mm100 -124.52 159.71 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.574 ' CD1' HG21 ' A' ' 112' ' ' ILE . 2.1 m95 -94.18 113.9 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.618 ' CZ ' ' HG ' ' A' ' 147' ' ' LEU . 3.2 m-85 -109.69 140.07 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.52 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.9 OUTLIER -97.92 146.88 25.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.452 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -141.18 128.93 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 140' ' ' SER . 3.8 t-20 -174.83 -73.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 139' ' ' ASN . 0.4 OUTLIER 169.55 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -68.13 -20.11 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -91.1 -4.02 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.76 25.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 146.03 -175.18 25.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 156.56 33.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.618 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -102.1 123.69 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.52 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 19.9 mt -116.66 116.18 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 146.11 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.417 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -55.09 -30.66 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.5 t -83.64 -21.42 32.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.578 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -86.49 -46.61 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -54.08 -47.25 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.79 -43.28 89.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.58 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -65.57 -38.82 90.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -62.99 -51.81 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.584 HD13 ' CZ ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -60.87 -34.51 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.71 95.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.58 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -63.97 -48.62 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -65.84 -32.64 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.558 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.1 mt-30 -66.27 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.22 -25.78 62.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.77 -35.02 62.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.693 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.28 -96.17 0.1 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.693 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.56 109.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -165.97 68.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.491 HG22 ' CE1' ' A' ' 117' ' ' PHE . 9.3 mt -133.6 136.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -123.72 124.86 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 115' ' ' ARG . 1.2 t -96.13 122.02 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.432 ' CG1' HD11 ' A' ' 94' ' ' LEU . 10.5 t -86.83 110.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -116.77 138.09 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.42 -157.41 23.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.518 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 30.1 t70 -85.12 119.11 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 1.6 tm? -104.38 126.4 31.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.03 152.16 40.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.7 161.99 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.87 172.88 12.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.279 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.93 -42.23 65.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 131' ' ' LEU . . . -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.36 -34.66 70.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 185' ' ' MET . 4.5 mt-30 -75.75 -41.02 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 5' ' ' SER . 19.6 mt -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.444 ' O ' HG12 ' A' ' 186' ' ' ILE . 6.2 mt-30 -155.36 -71.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.448 ' O ' ' O ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -35.78 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.467 HD12 ' CD ' ' A' ' 2' ' ' PRO . 27.1 mm -96.23 164.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.442 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.8 OUTLIER 60.87 113.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.83 140.33 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -102.07 -23.62 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 186' ' ' ILE . 18.2 Cg_endo -74.99 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.64 -47.44 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.76 118.09 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . 2.3 p -57.58 -48.93 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.476 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 5.2 mtt -55.54 -14.8 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.63 -24.59 49.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -139.51 43.88 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.598 ' C ' ' CG ' ' A' ' 10' ' ' PHE . 2.1 mt -94.35 123.82 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CG ' ' C ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 157.71 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -112.96 135.63 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.1 pt-20 -59.95 -140.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 9.9 mmtt 42.31 -127.97 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.6 pm0 -91.97 159.72 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -141.86 44.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -60.75 -137.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.427 1.079 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 22' ' ' HIS . 0.4 OUTLIER 162.6 92.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.647 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -138.4 -67.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.647 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 77.5 m -115.51 173.81 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -54.68 -24.33 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.85 -45.82 20.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.582 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 7.5 m-70 -59.22 -44.17 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -42.81 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD2' HG13 ' A' ' 85' ' ' ILE . 31.5 tp -64.38 -38.27 90.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 12.3 m-20 -62.12 -44.56 96.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.586 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 5.6 m-20 -73.68 -32.68 64.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -69.32 -7.18 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.99 -9.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -160.87 161.42 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -71.52 -102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 66.88 28.79 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -155.19 141.61 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -110.64 172.41 3.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.458 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -23.34 13.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.81 -43.99 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.18 -48.55 81.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 80' ' ' PHE . 4.7 mt -57.15 -34.51 68.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.629 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 21.4 t -68.18 -45.89 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -31.01 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.0 -47.55 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -56.5 -48.52 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 39' ' ' SER . 6.3 m170 -64.6 -46.74 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 48' ' ' GLU . 72.8 mt-30 -64.44 -33.99 77.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.65 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.15 -47.92 80.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 26.5 t70 -60.27 -44.86 94.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.98 -47.33 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 44' ' ' GLN . 3.3 tt0 -68.04 -51.43 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 tp10 -59.53 -42.53 92.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 12.2 ttp180 -59.18 -49.27 78.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.0 ptm -73.19 -43.54 61.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tpp180 -59.12 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.512 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.1 ptm -70.76 -42.66 70.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.98 -48.8 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -79.27 -31.32 43.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -66.4 -7.55 40.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 87.24 50.19 3.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.605 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.2 p -40.25 -28.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 0.811 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 11.5 t 52.94 13.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 58' ' ' VAL . 5.6 t 77.9 -47.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.29 -47.49 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.93 -32.92 74.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.579 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.26 -53.76 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.7 mmm-85 -67.26 -27.47 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.64 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.46 -44.96 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.0 mt -35.0 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.8 mm-40 -47.08 -22.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -74.52 160.56 80.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 m -133.21 -105.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 53.15 43.79 63.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 74' ' ' MET . 28.7 m-20 63.61 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.777 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 4.1 ptt? 178.67 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.747 ' N ' ' HG3' ' A' ' 74' ' ' MET . 0.6 OUTLIER -112.23 -175.42 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.93 -29.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.55 -42.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . -166.67 54.88 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.777 ' CZ ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -158.2 158.72 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.696 ' CD2' HD12 ' A' ' 38' ' ' LEU . 32.4 m-85 -119.74 159.27 24.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.604 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.95 145.21 55.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.717 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.69 -28.98 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -62.98 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' A' ' 81' ' ' SER . 3.2 m -61.14 -36.87 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.534 HD13 ' CZ2' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -65.72 -42.63 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -59.01 -44.87 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 2.0 m-80 -61.27 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.65 -32.16 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.687 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -67.6 -49.55 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 18.3 ptpt -57.05 -48.21 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.9 m -68.7 -24.04 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.623 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.7 m95 -80.68 -21.0 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.24 -37.6 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.687 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.2 pt? -90.65 170.83 9.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 171' ' ' LYS . 12.3 pt-20 -134.4 154.74 51.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' CD1' ' A' ' 82' ' ' ILE . 13.5 tp -124.77 141.91 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.506 HD13 ' CG2' ' A' ' 169' ' ' VAL . 1.1 pp -143.6 160.14 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -63.71 138.4 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 100' ' ' ASN . 32.2 t80 -84.67 -50.74 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.673 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.6 m-20 -25.28 -57.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.673 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.5 t -8.88 102.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.16 20.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 mt-10 -72.15 -46.66 55.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.648 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.4 m-85 -68.12 -46.49 70.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.573 ' HA ' ' HB ' ' A' ' 109' ' ' ILE . 1.6 mt-30 -55.37 -46.53 76.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.38 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.737 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.34 -24.52 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.737 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptm180 131.14 60.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.648 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.85 119.92 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.534 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -106.7 154.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.99 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.791 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.513 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -75.65 -23.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -60.27 -16.75 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.75 119.14 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -67.71 -8.46 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -165.68 110.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.24 158.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.641 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.6 mt -123.27 144.75 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -127.33 144.21 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.452 ' C ' ' ND2' ' A' ' 120' ' ' ASN . 0.8 OUTLIER -131.92 124.62 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -114.09 108.34 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.2 mppt? 34.72 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tt0 -102.21 111.39 23.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.589 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.2 t-160 94.5 140.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.812 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 58.6 p-90 -128.87 165.02 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.592 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -128.51 159.39 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.81 132.5 54.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.677 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 23.6 t -114.76 121.76 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.424 ' NH1' ' HG ' ' A' ' 138' ' ' LEU . 1.0 OUTLIER -121.9 156.32 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.9 OUTLIER -86.23 123.44 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.615 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -117.26 122.41 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 68.31 -101.05 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 19.97 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 13.4 mm100 -140.18 160.53 39.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.593 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 6.3 m95 -86.51 145.12 26.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.615 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 21.8 m-85 -145.78 136.51 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.509 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 1.2 p-10 -88.81 150.42 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.424 ' HG ' ' NH1' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -148.51 139.67 23.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 140' ' ' SER . 17.4 t30 177.01 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 164.36 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.592 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 1.1 pp -68.56 -28.48 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.492 HD21 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -82.08 -3.57 54.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.492 ' N ' HD21 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 48.44 22.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.462 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.4 ' O ' HD22 ' A' ' 142' ' ' LEU . . . 152.78 174.75 23.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -87.07 155.63 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 134' ' ' GLN . 28.2 tp -101.33 123.93 46.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.509 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 39.3 mt -115.02 123.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 148.06 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 134' ' ' GLN . 4.3 m-20 -55.15 -33.04 62.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.3 t -83.68 -24.01 31.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.561 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -82.52 -45.29 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.08 -48.0 71.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.58 -43.8 88.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.604 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.67 -36.78 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.539 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -64.87 -51.7 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 5.0 mt -58.51 -35.0 71.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.97 92.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.604 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -61.56 -48.37 81.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.92 -36.93 83.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.513 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 7.2 mt-30 -62.41 -46.4 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -70.9 -28.59 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.41 -30.09 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.59 -99.02 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.52 112.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.509 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -174.1 73.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.475 HD13 ' CG ' ' A' ' 161' ' ' GLN . 11.3 mt -134.81 137.0 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.717 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 144.56 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 99' ' ' PHE . 35.2 m -112.07 131.59 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 94' ' ' LEU . 2.7 t -93.45 110.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -120.87 135.74 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 137.93 -152.63 21.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 58.2 m-20 -83.8 120.98 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.529 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -110.23 132.64 21.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.59 143.8 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 20.5 p -127.07 -167.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.82 -42.42 65.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.495 ' CB ' HD23 ' A' ' 131' ' ' LEU . . . -56.21 -39.27 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 13.4 t70 -58.44 -35.12 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -75.75 -35.12 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.07 -46.03 90.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.572 ' C ' ' CD1' ' A' ' 183' ' ' LEU . 0.2 OUTLIER -61.35 -41.72 97.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.415 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -73.67 -142.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 186' ' ' ILE . 3.6 mtt -126.11 44.25 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 111.055 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 2' ' ' PRO . 3.0 mm 54.13 171.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -139.34 -70.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.6 p -143.43 -53.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.79 -57.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.58 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.787 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.98 -56.53 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -124.5 115.64 2.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.107 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.3 m -76.65 -48.96 17.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.452 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.3 mtt -51.32 -20.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 2.9 mt-10 -53.91 -34.36 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 182' ' ' LEU . 0.3 OUTLIER -145.42 58.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.659 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 5.1 mt -103.3 123.92 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 156.63 -165.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 11.5 t60 -75.63 135.36 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HB3' ' CG ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -58.18 -74.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 44.5 mttm -58.01 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.662 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -92.55 144.43 25.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 16' ' ' GLY . 6.8 mt-10 -99.67 -24.11 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 51.42 174.16 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.98 35.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -98.75 -66.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.727 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 29.4 p -115.85 173.97 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.2 -24.85 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -46.89 -38.99 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 139' ' ' ASN . 3.4 p-80 -54.07 -46.29 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 0.5 OUTLIER -66.46 -42.42 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD1' HD21 ' A' ' 89' ' ' LEU . 11.7 tp -61.71 -43.02 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 3.5 m120 -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 22' ' ' HIS . 1.3 m-20 -71.16 -26.81 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 tp -72.04 -47.04 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 41.0 mt -77.01 -32.56 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' CD ' ' HA ' ' A' ' 177' ' ' CYS . 4.5 tm0? 59.14 102.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.676 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 167.23 -53.08 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.4 tt0 88.76 64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.676 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.5 m-85 -134.5 48.51 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.63 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.69 154.76 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.9 -179.93 1.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.03 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.94 -37.95 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -59.95 -44.52 94.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.02 -44.77 83.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -59.32 -46.0 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -67.25 -41.33 85.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -63.08 -47.97 90.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.43 -46.83 76.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 39' ' ' SER . 13.0 m170 -67.26 -44.69 78.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.494 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -64.96 -35.09 80.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.58 -43.93 83.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.68 -45.06 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 tp10 -73.97 -42.37 60.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.7 tt0 -69.61 -52.27 27.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 6.9 mm-40 -60.77 -39.49 89.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 17.7 ttt180 -62.19 -48.97 77.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.6 ptm -72.81 -47.57 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.5 ttt180 -56.99 -48.36 78.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.7 ptm -72.22 -42.51 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.07 -48.5 78.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.4 mm-40 -80.07 -53.8 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -41.67 -22.85 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 102.18 54.66 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.598 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.2 p -42.28 -27.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 12.5 t 52.9 14.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 58' ' ' VAL . 6.7 t 77.26 -47.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.57 -47.58 69.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.66 -33.21 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.09 -53.55 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.4 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -50.4 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -79.02 -41.4 29.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 11.2 mt -40.23 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' PHE . 41.2 mm-40 -53.75 -20.88 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.7 mm-40 -67.91 161.03 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.99 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -90.07 -161.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 97.95 -0.79 59.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 3.0 m120 62.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 72' ' ' GLY . 11.6 ptm 177.54 161.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.8 t70 -110.6 172.57 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -133.82 25.69 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 p -105.21 11.68 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.23 31.54 2.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -152.55 134.58 14.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 44.0 m-85 -119.59 160.36 22.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.587 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -66.49 145.84 55.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.702 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.3 -27.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.516 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -61.6 -26.92 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' A' ' 81' ' ' SER . 4.3 m -61.26 -38.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.487 HD11 ' CH2' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -64.39 -36.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.464 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 31.9 t -64.81 -44.92 88.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.614 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -61.35 -39.43 90.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.64 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -72.95 -35.17 66.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.689 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.54 -50.75 57.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.663 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.56 -44.96 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.64 HG21 ' O ' ' A' ' 88' ' ' ALA . 6.1 m -73.31 -20.15 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.682 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.7 m95 -82.4 -21.52 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.53 -48.46 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.808 HD12 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.23 170.85 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.87 157.94 36.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 17.0 tp -124.64 132.59 53.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 169' ' ' VAL . 2.4 pp -140.56 158.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -64.98 130.74 44.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 167' ' ' ILE . 6.0 t80 -81.92 -38.03 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.639 ' O ' ' C ' ' A' ' 101' ' ' SER . 10.2 m120 -33.64 -52.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -15.01 106.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.25 20.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 15.8 mt-10 -71.34 -46.84 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.706 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.1 m-85 -67.2 -46.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.3 mt-30 -55.49 -46.71 76.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -63.98 -40.32 96.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.1 mt -65.45 -24.61 67.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 10.8 mtt180 130.43 62.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.706 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.2 119.58 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.9 OUTLIER -106.79 153.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.482 ' CB ' HD13 ' A' ' 157' ' ' LEU . 18.1 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.609 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.15 -18.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.8 m-20 -66.09 -10.08 37.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.452 ' CG ' HG23 ' A' ' 169' ' ' VAL . 9.2 tp10 -91.36 150.48 21.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 130' ' ' LYS . 2.0 tmt_? -88.56 -26.22 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.4 ' OG ' HG21 ' A' ' 170' ' ' VAL . 12.2 t -149.71 113.45 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.058 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.696 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.7 154.79 28.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.646 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.8 mt -127.74 144.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -126.57 147.03 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.5 t-20 -129.58 118.81 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.5 OUTLIER -114.04 107.85 16.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER 33.85 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 3.3 tm-20 74.63 -86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -52.13 132.08 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.768 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 41.5 p-90 -129.21 164.8 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.575 ' CD2' HD22 ' A' ' 141' ' ' LEU . 1.3 m-85 -129.11 162.38 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 138' ' ' LEU . 0.2 OUTLIER -115.13 122.01 44.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.696 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 21.7 t -106.51 129.33 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 153.83 46.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.693 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.9 mptt -85.06 110.76 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.61 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -95.14 120.58 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 183' ' ' LEU . . . 57.78 -96.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 13.75 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.42 148.56 50.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.693 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 0.7 OUTLIER -75.17 128.64 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.004 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.9 m-85 -128.26 136.51 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.9 142.17 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.444 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -144.4 146.04 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.548 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 11.1 t-20 166.17 -70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.51 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.575 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.9 -23.06 64.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -92.68 -5.27 51.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.51 22.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 151.54 -163.14 29.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.452 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.99 97.65 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 142' ' ' LEU . 0.8 OUTLIER -84.72 125.6 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -80.34 124.58 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.3 123.86 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 147.82 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.574 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -55.41 -31.59 61.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.53 -12.86 55.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -99.57 -45.99 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.3 OUTLIER -53.95 -48.87 69.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.635 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.71 -36.78 81.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -63.99 -49.95 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.598 HD23 ' CE2' ' A' ' 117' ' ' PHE . 3.7 mt -60.4 -34.99 74.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.22 95.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.635 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -61.51 -48.36 81.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.93 -35.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.9 mt-30 -63.66 -46.66 84.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.29 -27.62 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.31 -33.53 67.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.691 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.86 -96.44 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.691 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.29 121.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 175.58 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 99' ' ' PHE . 13.5 mt -134.86 128.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.5 m-85 -116.47 122.3 44.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.1 t -95.45 125.96 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.498 ' CG1' HD22 ' A' ' 94' ' ' LEU . 19.1 t -86.66 113.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.29 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 125.92 -156.6 19.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.563 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.2 m-20 -93.77 118.62 31.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 115' ' ' ARG . 2.0 tm? -104.11 129.4 25.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 128.93 11.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 175' ' ' PRO . 22.9 p30 -51.26 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.405 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 30.4 p -161.47 178.53 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mm-40 -53.33 -42.53 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 131' ' ' LEU . . . -55.54 -38.21 68.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.489 ' O ' ' CD2' ' A' ' 183' ' ' LEU . 45.3 t0 -58.23 -34.94 70.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -39.57 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 8' ' ' SER . 11.9 mt -62.43 -30.47 71.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.95 -25.41 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 0.2 OUTLIER -179.94 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 1.5 mtt -39.59 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 188' ' ' VAL . 3.6 mp -81.32 -102.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 188' ' ' VAL . 5.1 ttt180 -50.72 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 187' ' ' ARG . 47.7 t -158.9 136.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -153.2 -60.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.56 -51.77 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.45 97.99 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' HG13 ' A' ' 9' ' ' ILE . 82.1 p -56.64 -36.81 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 136' ' ' PHE . 9.6 mtt -55.46 -11.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 8' ' ' SER . 17.6 pt-20 -53.42 -38.84 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -142.66 48.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.761 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 3.1 mt -83.99 123.45 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.761 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 21.8 p90 164.31 -167.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.634 ' CD2' ' HG3' ' A' ' 12' ' ' GLU . 9.7 t-160 -112.88 132.91 55.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 1.2 pt-20 -41.26 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 3.1 ttmt -88.16 132.36 34.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.64 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -136.01 132.04 35.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.64 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.6 mt-10 -46.24 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.82 -132.04 1.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 79.9 p -164.95 96.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -137.68 -54.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.508 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 74.6 m -115.31 174.05 6.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.762 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.24 -24.22 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.1 tm0? -46.53 -25.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -72.62 -42.94 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -71.3 -44.77 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.547 ' CD2' HG13 ' A' ' 85' ' ' ILE . 27.6 tp -60.3 -45.97 91.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 1.5 m120 -60.53 -42.3 96.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -26.85 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -75.06 -47.4 29.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.54 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 48.9 73.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.769 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.16 -51.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 14' ' ' GLN . 6.1 tt0 84.49 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.769 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.6 m-85 -138.57 53.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -158.52 142.84 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -120.87 -180.0 0.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.96 -47.58 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.0 -36.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.4 mt-10 -67.24 -49.25 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 2.6 mt -58.63 -42.76 89.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.459 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -61.52 -46.06 91.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.56 85.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -62.05 -47.89 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.592 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -57.41 -47.08 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.0 m170 -68.07 -40.23 82.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' A' ' 48' ' ' GLU . 20.5 mt-30 -70.03 -34.73 73.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' CD2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -65.74 -47.42 75.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -60.79 -45.18 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.0 tt0 -73.69 -46.17 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.4 tt0 -67.01 -53.48 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.1 mm-40 -59.62 -39.77 85.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.9 ttp180 -61.64 -49.12 77.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.2 ptm -73.22 -45.99 52.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.11 -50.25 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.498 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 4.0 ptm -71.03 -41.55 70.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.08 -48.88 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.1 mm-40 -65.02 -56.59 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.53 -12.19 4.49 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.659 ' C ' HG12 ' A' ' 58' ' ' VAL . . . 98.02 -22.3 41.59 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.693 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 p 49.71 8.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.588 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER 36.99 19.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.36 -49.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 59' ' ' THR . 31.9 mm-40 -53.43 -47.97 69.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.44 -33.76 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.603 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -71.13 -53.29 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -66.7 -27.93 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -49.39 49.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -78.69 -38.37 39.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.3 mt -45.24 -23.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 29.1 mm-40 -61.9 -30.58 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.6 mt-30 -60.57 161.63 13.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.03 159.51 41.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -108.45 -141.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . 101.51 -10.29 57.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.643 ' O ' ' O ' ' A' ' 74' ' ' MET . 8.1 m-80 38.13 55.34 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.649 ' HE2' ' CD1' ' A' ' 80' ' ' PHE . 10.3 ptm 49.47 151.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 14.6 m-20 -110.65 -177.97 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.55 -22.03 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -54.58 -26.23 31.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 136.8 56.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.98 130.54 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.649 ' CD1' ' HE2' ' A' ' 74' ' ' MET . 52.7 m-85 -104.59 159.09 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.25 146.63 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.723 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.84 -27.53 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.575 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.9 mp0 -62.21 -27.23 68.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 81' ' ' SER . 3.8 m -61.09 -40.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 24' ' ' LEU . 1.1 mp -61.31 -45.3 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -56.78 -45.28 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.614 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.5 m-80 -60.75 -38.34 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.36 -32.31 66.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.778 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.42 -50.91 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.761 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.72 -35.12 79.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER -76.42 -21.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 4.6 m95 -87.63 -21.11 25.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -35.96 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.778 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -90.37 170.34 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 171' ' ' LYS . 3.6 pt-20 -133.19 152.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CD1' ' HB3' ' A' ' 168' ' ' PHE . 10.6 tp -125.02 134.45 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.8 pp -136.54 159.41 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.59 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.29 129.67 40.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 23.6 t80 -85.0 -43.62 13.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.657 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -35.67 -39.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 t -26.2 108.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.62 19.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.2 tt0 -72.38 -46.81 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.711 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.2 m-85 -66.9 -46.84 73.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.8 mt-30 -55.23 -46.72 76.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.84 -41.29 97.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -64.69 -24.55 67.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.8 mtt-85 130.08 63.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.711 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 119.12 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.74 154.19 40.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.98 -39.84 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -26.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.0 m-20 -52.17 -20.35 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -89.98 147.17 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -93.49 -5.58 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -163.07 113.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.716 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -121.47 158.56 28.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.627 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 1.8 mt -121.97 143.37 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.566 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -127.49 139.94 52.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.287 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -131.55 124.51 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.617 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -114.13 108.01 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.03 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.8 -91.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.0 tt0 -103.43 111.06 23.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.5 t-160 96.47 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.578 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.762 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 47.1 p-90 -128.99 165.19 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 107.968 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.568 ' CD1' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.56 162.45 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.72 133.46 55.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.716 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 24.7 t -116.33 122.05 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -123.22 153.41 40.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 3.0 ttpt -85.48 105.3 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.563 ' HB2' ' CG ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -90.2 122.35 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 183' ' ' LEU . . . 69.34 -78.88 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.78 23.76 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.497 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 17.8 mm100 -140.54 153.86 46.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.525 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.45 116.18 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.015 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.601 ' CE1' ' HG ' ' A' ' 147' ' ' LEU . 3.4 m-30 -112.95 135.64 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.72 140.29 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.8 mt -148.61 144.19 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 140' ' ' SER . 11.1 t30 165.82 -59.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 159.98 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -73.22 -25.17 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.516 HD12 ' CD2' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -89.12 -4.61 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.493 ' N ' HD21 ' A' ' 142' ' ' LEU . 0.7 OUTLIER 47.48 24.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 147.32 178.8 22.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.62 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.09 123.95 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.601 ' HG ' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -68.09 123.39 20.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 15.5 mt -105.81 137.72 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.7 150.78 26.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -55.0 -40.69 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -84.12 -3.35 58.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.534 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -99.93 -49.61 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.23 70.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.492 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.13 -42.74 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.642 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.0 -37.03 85.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -63.65 -51.62 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 3.5 mt -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.95 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.642 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -61.7 -48.41 80.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.526 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -65.75 -35.54 81.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.491 ' CG ' HD13 ' A' ' 167' ' ' ILE . 8.0 mt-30 -64.89 -46.44 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.25 -25.24 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.67 -33.68 60.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.713 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.64 -97.82 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.713 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.87 108.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -173.75 77.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.491 HD13 ' CG ' ' A' ' 161' ' ' GLN . 8.9 mt -134.88 134.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.723 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -124.23 122.04 36.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -93.31 123.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 94' ' ' LEU . 2.5 t -87.81 115.02 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -125.36 133.2 52.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 149.09 -145.8 14.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.4 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 5.5 m-20 -95.47 120.2 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.58 132.36 21.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -176.77 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.86 -151.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.1 pt-20 -52.93 -42.61 65.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 131' ' ' LEU . . . -56.02 -41.77 75.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.36 -35.0 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 185' ' ' MET . 1.3 tt0 -74.42 -39.84 62.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 8' ' ' SER . 36.1 mt -65.23 -27.12 68.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.4 tt -56.63 -39.22 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 0.2 OUTLIER 175.79 -45.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 1.6 ttm -60.19 79.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 184' ' ' GLN . 38.8 mm -77.52 155.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.43 105.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.35 -50.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -175.09 84.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.3 Cg_endo -75.01 -13.04 21.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 86.82 -59.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.93 132.18 4.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.1 p -74.55 -48.49 26.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.538 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.87 -14.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.97 -21.69 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -137.04 37.28 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.608 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 5.6 mt -90.6 139.17 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CD1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER 82.72 125.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.756 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -112.65 135.82 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -162.56 108.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.638 ' HD2' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -99.36 -55.51 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 4.1 pp0? -89.68 157.71 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 14' ' ' GLN . 4.8 mt-10 -96.25 134.35 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -170.05 30.04 0.14 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 22' ' ' HIS . 4.7 t -74.75 114.76 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 3.6 pp -174.62 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' ' CD1' ' A' ' 18' ' ' LEU . 20.5 m -115.42 174.5 5.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 108.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.45 -24.37 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.82 -33.49 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 21.5 t60 -56.55 -48.57 77.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.77 -37.04 83.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 85' ' ' ILE . 32.0 tp -62.71 -45.81 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.5 -44.92 92.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.66 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 2.0 t30 -70.94 -39.38 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.38 -45.43 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.621 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -76.3 -1.25 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 2.9 pt20 34.09 54.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.756 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -171.18 -32.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' A' ' 13' ' ' LYS . 1.2 mt-10 77.23 -117.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 1.8 m-85 64.28 28.56 13.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.641 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -140.78 154.86 46.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -128.12 175.66 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.041 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.03 -45.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.66 -41.17 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 18.3 mt-10 -58.64 -40.53 83.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' CD1' ' HB2' ' A' ' 21' ' ' GLN . 2.9 mt -58.47 -45.71 88.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -59.81 -45.97 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -67.39 -42.94 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.53 -45.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.725 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -58.73 -45.63 89.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' SER . 9.9 m170 -68.37 -42.77 78.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.12 -36.71 82.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -67.7 -43.28 80.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.8 tt0 -74.29 -34.73 63.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -77.2 -50.98 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.2 tp10 -62.52 -36.19 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.585 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 28.5 ttt180 -70.73 -48.73 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.571 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.7 ptm -72.76 -49.62 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -56.18 -47.27 78.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.569 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.8 ptm -72.92 -40.19 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -66.94 -48.28 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' CG ' ' O ' ' A' ' 51' ' ' MET . 2.4 mm-40 -63.39 -58.17 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.45 -12.41 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.676 ' C ' HG12 ' A' ' 58' ' ' VAL . . . 97.42 -20.35 51.06 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.684 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.3 p 49.87 8.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.592 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER 37.57 19.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER 65.93 -50.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 59' ' ' THR . 7.7 mt-10 -53.24 -47.54 68.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.23 -33.79 67.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.565 ' CD2' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -70.53 -53.34 16.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.52 -27.78 68.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.3 -48.82 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -78.46 -42.66 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.1 mt -39.8 -27.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.2 mm-40 -53.67 -36.55 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 2.4 mt-30 -60.92 164.13 8.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.09 131.01 13.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.6 p -95.56 -148.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 91.54 8.66 63.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.4 m-80 63.98 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.3 ptm 174.83 172.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 17.2 t0 -110.32 -177.05 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -149.94 24.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -105.95 10.06 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.76 41.9 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -166.32 138.68 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 39.4 m-85 -116.41 158.89 22.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.513 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.6 t -67.59 139.23 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.713 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -60.23 -27.03 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.625 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 29.9 mm-40 -61.65 -26.12 67.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.528 HG11 ' CB ' ' A' ' 42' ' ' ALA . 3.8 m -61.2 -39.58 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' CG2' HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -63.32 -36.98 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 96' ' ' LEU . 40.6 t -65.17 -43.79 90.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.697 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -60.77 -41.05 94.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.25 -33.76 72.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.99 -49.29 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.7 ptmt -56.95 -46.35 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 88' ' ' ALA . 14.8 m -71.74 -22.64 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.621 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.4 m95 -81.01 -20.51 41.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.33 3.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -90.73 170.13 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.03 155.66 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.62 125.96 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 169' ' ' VAL . 1.0 OUTLIER -131.67 158.77 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -65.2 148.08 52.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 33.3 t80 -94.79 -46.58 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.666 ' O ' ' C ' ' A' ' 101' ' ' SER . 8.4 m-20 -29.2 -54.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.666 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -10.96 102.48 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.9 tt0 -73.57 -46.85 44.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.645 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.0 m-85 -67.86 -46.19 72.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.0 mt-30 -55.1 -46.4 75.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.83 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.54 -24.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.0 ptt180 131.71 60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.645 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.82 119.28 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 1.4 m-20 -106.5 154.32 39.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.98 -36.39 2.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.401 ' HA ' HD11 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.53 -25.1 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.5 m-20 -60.15 -15.28 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG3' HG13 ' A' ' 169' ' ' VAL . 58.0 mm-40 -94.44 110.4 22.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.05 -33.14 64.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.74 114.77 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.692 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -123.68 155.24 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.645 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.4 mt -126.33 143.14 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.495 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -127.28 146.36 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -136.36 125.39 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.97 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 36.23 -90.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.604 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -103.85 111.87 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.9 t-160 96.25 138.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.792 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 45.2 p-90 -129.03 164.83 22.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.033 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.04 157.24 42.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.75 134.88 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.692 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 16.5 t -119.34 125.06 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -124.88 147.84 48.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.42 111.09 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 2.2 tm? -100.58 122.07 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.67 -81.17 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' OE1' ' A' ' 134' ' ' GLN . 2.5 tttp -153.88 21.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 0.9 OUTLIER -135.36 159.8 40.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -96.86 119.83 36.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 1.4 m-85 -116.68 133.48 55.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.431 ' O ' ' CD2' ' A' ' 138' ' ' LEU . 0.2 OUTLIER -87.94 150.1 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.619 ' HG ' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -154.04 142.37 20.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 140' ' ' SER . 2.7 t30 169.41 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.2 t 155.36 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.564 HD22 ' CE2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -73.33 -29.98 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -92.47 -5.09 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.495 ' N ' HD22 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 44.47 26.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.435 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 157.48 -178.16 33.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.494 ' HA ' ' CD2' ' A' ' 138' ' ' LEU . 18.4 Cg_endo -75.0 64.53 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.19 103.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 1.4 tp -57.84 134.2 56.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 61.2 mt -113.5 148.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 156.31 17.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.551 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.6 OUTLIER -59.96 -38.97 84.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.9 t -83.51 -2.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.622 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -104.4 -50.8 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' A' ' 117' ' ' PHE . 1.1 tm? -54.0 -47.66 71.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.82 84.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -64.11 -39.25 93.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -62.09 -51.53 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.67 HD13 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -60.59 -34.34 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.03 87.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.586 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -65.8 -49.29 68.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.552 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -65.04 -35.43 81.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.1 mt-30 -64.36 -46.63 82.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -70.75 -25.69 63.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -76.23 -31.53 58.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.45 -97.36 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.52 114.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.559 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -177.35 70.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.465 ' O ' HD13 ' A' ' 98' ' ' LEU . 18.3 mt -130.07 136.83 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.713 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -124.42 143.2 50.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.562 ' O ' HD23 ' A' ' 96' ' ' LEU . 25.3 m -111.45 122.92 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 94' ' ' LEU . 2.5 t -88.4 110.51 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.01 134.79 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 147.54 -149.0 21.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.42 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -91.06 119.89 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.577 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.4 OUTLIER -101.02 134.13 20.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 161.36 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.491 ' CG ' ' N ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -108.0 169.39 8.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 0.6 OUTLIER -172.2 -148.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.251 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 3.8 mm-40 -66.19 -39.17 89.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -55.31 -39.03 69.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.467 ' CB ' ' OD2' ' A' ' 176' ' ' ASP . 8.4 t70 -58.5 -39.96 81.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.596 ' HG3' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.12 -28.1 61.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.596 ' N ' ' HG3' ' A' ' 181' ' ' GLN . 85.0 mt -72.05 -29.98 64.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.414 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 1.4 tm? -57.04 -47.63 80.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -102.86 -93.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.9 mtt -128.57 -89.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.18 -124.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.59 109.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.22 126.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -155.24 -57.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.86 -51.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.4 132.06 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.98 -48.46 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.492 ' HA ' ' CG1' ' A' ' 9' ' ' ILE . 5.7 ttm -62.47 -5.3 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.15 -14.12 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' HD12 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.07 40.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 7.5 mt -94.03 123.68 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.605 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 4.1 p90 171.25 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.601 ' NE2' ' C ' ' A' ' 13' ' ' LYS . 1.4 t60 -111.91 135.27 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.08 -101.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.601 ' C ' ' NE2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -97.79 95.17 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.652 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -97.97 139.86 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.652 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -148.47 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 14' ' ' GLN . . . 161.32 115.12 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 17.2 m -143.21 94.74 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' HG ' ' SG ' ' A' ' 19' ' ' CYS . 1.3 pt? -151.33 -46.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' C ' ' A' ' 78' ' ' GLY . 90.3 m -114.28 174.64 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.814 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.37 -23.96 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.0 tp-100 -46.45 -24.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' CD2' ' HG ' ' A' ' 17' ' ' SER . 4.4 t60 -64.13 -55.98 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.551 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' SG ' ' C ' ' A' ' 138' ' ' LEU . 1.4 m -60.54 -38.61 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD11 ' CG1' ' A' ' 85' ' ' ILE . 31.8 tp -60.92 -35.77 77.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.503 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.9 m120 -67.95 -45.16 75.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 62.1 t-20 -71.68 -31.84 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.5 -47.19 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -76.9 -1.88 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.631 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 54.2 tt0 98.68 -54.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -129.59 168.03 21.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.487 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -61.03 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-30 71.38 4.06 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -133.71 148.33 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -121.37 -179.31 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -74.98 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.82 -37.81 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 3.3 mt-10 -65.9 -42.0 90.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.1 tp -64.52 -43.86 92.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.488 ' OG ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.36 -45.55 87.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -68.3 -38.37 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -60.63 -47.79 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' CB ' HG12 ' A' ' 84' ' ' VAL . . . -60.02 -47.07 87.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.548 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 19.8 m170 -64.57 -47.78 77.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -61.86 -34.49 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.52 -44.61 86.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 8.1 t70 -60.43 -44.19 96.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 51' ' ' MET . 74.2 mt-10 -73.29 -47.07 45.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.9 tt0 -68.97 -51.7 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.2 tt0 -59.78 -39.59 85.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 ttt180 -62.09 -48.98 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.3 ptm -72.36 -44.42 62.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' N ' ' HG3' ' A' ' 51' ' ' MET . 3.1 tpp180 -60.66 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.2 ptm -72.4 -41.14 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.01 -48.84 72.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -77.65 -53.11 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.75 -20.31 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 95.97 58.73 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.619 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.6 p -50.92 -22.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 8.9 t 51.65 15.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.4 t 79.53 -43.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.77 -47.34 70.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' CB ' HG21 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.45 -53.61 22.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.1 mtp180 -66.9 -27.32 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -49.7 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.45 -44.88 23.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.6 mt -36.44 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 14.6 mm-40 -51.01 -20.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.585 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -73.0 158.82 86.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.2 Cg_endo -75.01 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -60.3 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' PRO . . . -59.91 -24.39 60.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.847 ' O ' ' HB3' ' A' ' 74' ' ' MET . 2.1 m120 -50.11 -62.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.847 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 20.3 ptm 123.64 165.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.597 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 19.2 t0 -110.61 -176.25 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -143.61 27.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -114.93 12.56 16.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.489 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 105.84 42.99 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -164.42 129.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.593 ' CD1' ' HE3' ' A' ' 74' ' ' MET . 64.2 m-85 -104.44 156.98 17.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -67.42 139.66 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.673 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -56.16 -27.39 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.565 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 31.2 mm-40 -62.09 -24.97 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.513 ' CG2' ' HG ' ' A' ' 38' ' ' LEU . 3.5 m -60.52 -42.89 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mp -60.58 -44.46 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 48.1 t -56.75 -45.26 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.634 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -61.47 -38.05 85.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HA ' HG21 ' A' ' 91' ' ' VAL . . . -73.06 -36.9 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.1 mt -65.46 -50.39 65.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.7 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' A' ' 88' ' ' ALA . 6.4 m -71.54 -19.78 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.641 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.6 m95 -83.92 -20.59 32.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.059 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.22 -38.99 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.7 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -90.53 170.39 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 171' ' ' LYS . 7.6 pt-20 -125.53 149.8 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.59 125.53 44.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.456 ' N ' HD21 ' A' ' 96' ' ' LEU . 1.4 pp -136.15 158.25 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.43 148.34 51.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' HB2' ' CG1' ' A' ' 169' ' ' VAL . 26.5 t80 -96.53 -43.49 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.707 ' OD1' ' CE2' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -29.58 -49.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.0 t -17.19 103.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.04 -16.54 20.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 18.5 mt-10 -71.75 -47.14 55.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.72 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.8 m-85 -67.42 -46.98 71.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.7 mt-30 -55.33 -47.13 76.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 6.7 mtp180 -63.1 -41.59 99.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.5 mt -64.73 -24.53 67.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 1.2 ptt180 129.73 63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.72 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.97 122.62 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.95 155.64 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.2 Cg_endo -75.03 -37.08 2.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.581 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.18 -18.78 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 5.8 m-20 -75.5 64.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HG2' ' HB ' ' A' ' 169' ' ' VAL . 0.8 OUTLIER -166.2 169.4 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.614 ' HG3' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -84.13 -38.4 20.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.614 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 1.7 t -157.1 138.13 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.704 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -117.24 154.52 31.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 1.1 mt -122.97 145.06 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -127.36 141.4 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.99 123.46 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.587 ' CD1' ' HE3' ' A' ' 122' ' ' LYS . 1.4 t80 -113.44 109.17 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.587 ' HE3' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER 59.34 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -113.93 -72.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 140.44 54.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.814 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 56.5 p-90 -128.85 164.96 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 1.5 m-85 -128.82 161.74 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.08 122.65 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.704 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 21.6 t -105.46 127.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.26 140.04 52.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.684 ' CD ' ' CE3' ' A' ' 135' ' ' TRP . 6.6 mmtp -84.43 113.65 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.496 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 0.6 OUTLIER -107.08 122.21 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.438 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 63.85 -107.22 1.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 2.84 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 6.8 mm100 -117.73 152.54 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.684 ' CE3' ' CD ' ' A' ' 130' ' ' LYS . 1.8 m95 -97.97 126.44 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.55 ' CZ ' HD23 ' A' ' 147' ' ' LEU . 4.1 m-85 -122.36 136.79 54.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.461 HD21 ' N ' ' A' ' 138' ' ' LEU . 0.2 OUTLIER -88.48 146.91 24.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -138.5 131.7 30.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.428 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.3 t-20 179.84 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.428 ' N ' HD23 ' A' ' 142' ' ' LEU . 42.9 t 178.31 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -68.67 -19.25 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.474 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -94.1 -3.3 51.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 45.93 26.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 147.57 -169.0 28.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 82.01 2.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.66 117.23 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.55 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 1.3 mt -68.23 123.51 20.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 76.8 mt -124.03 113.86 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.66 148.24 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 1.6 m-20 -54.96 -32.49 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.2 t -83.64 -20.51 33.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.533 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -86.18 -42.72 13.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.6 HD21 ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -54.23 -48.03 71.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.34 -45.51 79.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.594 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -60.53 -48.02 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.63 HD13 ' CZ ' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -61.58 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.32 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.594 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -67.11 -48.28 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -65.37 -35.22 80.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 167' ' ' ILE . 4.1 mt-30 -63.23 -46.94 84.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.48 -26.44 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -75.9 -29.26 58.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.723 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.11 -100.2 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.723 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 158.94 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 174.86 78.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 6.1 mt -135.32 132.95 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.673 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.09 147.3 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.586 ' CG1' ' HB2' ' A' ' 99' ' ' PHE . 26.3 m -124.28 120.56 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.593 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.61 110.18 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -111.51 144.8 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.32 -145.92 17.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 14.4 t0 -103.42 120.6 41.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.507 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -96.4 132.81 25.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 175' ' ' PRO . 4.8 m-20 -43.36 166.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.504 ' CB ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 p -162.37 170.08 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.602 ' OE2' ' CE1' ' A' ' 10' ' ' PHE . 2.0 pt-20 -52.97 -42.86 65.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.496 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -59.54 -39.26 83.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.405 ' O ' HD11 ' A' ' 183' ' ' LEU . 4.2 t70 -58.13 -34.79 70.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.69 -43.93 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 45.7 mt -54.7 -38.51 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 183' ' ' LEU . 0.0 OUTLIER -57.27 -33.64 67.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 183' ' ' LEU . 5.0 tt0 -87.84 -145.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 186' ' ' ILE . 4.2 mpp? -141.89 115.26 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 185' ' ' MET . 0.2 OUTLIER 38.04 -146.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 186' ' ' ILE . 5.5 ttp180 56.78 58.72 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 15.2 m -128.69 -171.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -131.63 -50.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.2 Cg_endo -75.03 -16.3 20.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER 84.23 -49.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.89 113.1 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 9' ' ' ILE . 3.8 p -76.12 -48.72 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.482 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 28.2 mtp -67.22 -3.36 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.99 -11.94 60.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 182' ' ' LEU . 4.9 t -154.19 37.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.639 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 3.6 mt -87.53 123.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 158.31 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 5.8 t60 -83.31 135.84 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -64.36 -74.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HB2' ' NE2' ' A' ' 11' ' ' HIS . 25.3 mttm -56.88 -124.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -90.1 159.99 16.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -134.8 90.4 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.604 ' O ' ' CD2' ' A' ' 22' ' ' HIS . . . -41.1 168.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 70.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 19' ' ' CYS . 1.2 pp -157.49 -54.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.571 ' N ' HD13 ' A' ' 18' ' ' LEU . 1.6 p -116.32 173.88 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -60.94 -24.35 65.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.522 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -46.54 -29.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 16' ' ' GLY . 1.3 t-80 -57.99 -53.89 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -63.11 -37.71 88.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD21 HG13 ' A' ' 85' ' ' ILE . 15.0 tp -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.5 m120 -60.5 -42.2 95.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -74.72 -35.72 62.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' CYS . 1.8 tp -68.08 -45.66 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' A' ' 29' ' ' GLN . 38.6 mt -74.86 -1.52 22.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER 77.51 -47.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.642 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -118.6 136.15 11.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.474 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -53.56 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.295 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 69.5 34.06 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.555 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -158.8 154.15 25.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.58 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -131.55 -177.33 0.67 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -55.91 -37.65 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 4.7 mt-10 -64.74 -42.26 95.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HG ' ' CG2' ' A' ' 84' ' ' VAL . 1.6 tp -64.34 -42.47 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.462 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.74 -45.77 88.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -64.77 -45.56 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.722 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -60.74 -47.28 87.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 16.2 m170 -68.51 -42.24 78.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.633 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.35 -47.06 85.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.722 HD22 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -62.21 -38.53 89.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 7.1 t70 -60.19 -44.9 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' MET . 18.1 mt-10 -73.64 -42.43 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -72.46 -52.35 16.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.1 pp20? -59.47 -39.13 82.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.5 ttm180 -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.3 mtm -71.38 -51.44 24.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.81 -45.97 81.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 3.5 ptm -72.42 -42.41 65.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -68.13 -48.66 64.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.2 pp20? -74.1 -34.41 63.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -72.56 -8.16 70.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 95.08 -31.6 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.701 ' O ' HG21 ' A' ' 58' ' ' VAL . 3.0 p 48.67 11.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.09 22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER 63.89 -50.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 59' ' ' THR . 11.6 mt-10 -53.49 -47.79 69.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.615 ' CB ' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.91 -53.73 41.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.2 mmt85 -67.61 -26.92 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -50.47 48.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.25 -41.0 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.492 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 11.2 mt -39.93 -27.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' N ' ' C ' ' A' ' 66' ' ' PHE . 22.3 mm-40 -54.17 -33.91 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.493 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 2.4 mt-30 -64.56 162.07 38.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.06 152.37 40.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -115.13 -101.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 43.29 43.24 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' C ' ' HG2' ' A' ' 74' ' ' MET . 2.8 m120 64.05 -68.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 1.8 ptm 172.75 -82.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 19.3 p-10 -83.05 -175.62 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -167.36 -31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 t -141.37 -66.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.65 59.42 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -168.92 161.51 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.62 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 64.3 m-85 -120.0 159.45 24.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.543 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.39 149.34 50.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.709 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -64.15 -27.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.601 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 40.9 mm-40 -61.62 -25.87 67.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 81' ' ' SER . 3.9 m -60.84 -40.7 86.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -62.73 -44.34 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 6.4 t -55.93 -45.38 78.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.644 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -61.46 -41.07 96.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.637 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -72.24 -36.59 69.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.4 mt -67.43 -49.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.681 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -57.04 -46.71 82.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 88' ' ' ALA . 3.4 m -72.97 -20.01 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -82.2 -20.97 36.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.22 -42.48 1.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.692 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.41 166.51 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.9 pt-20 -122.35 156.38 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.89 125.87 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.51 HD12 ' CG2' ' A' ' 169' ' ' VAL . 1.5 pp -133.1 159.44 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.522 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.63 146.28 54.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.621 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 33.8 t80 -91.75 -51.08 5.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.694 ' O ' ' C ' ' A' ' 101' ' ' SER . 32.2 m120 -23.85 -65.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.733 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 2.2 t -2.56 104.85 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -14.53 21.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.0 mt-10 -72.26 -46.34 56.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 109' ' ' ILE . 2.1 m-85 -70.12 -46.84 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.733 ' HG2' ' O ' ' A' ' 101' ' ' SER . 83.8 mm-40 -53.87 -47.5 70.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -35.14 70.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -62.5 -25.29 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 4.3 ptt180 130.68 53.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.563 ' CD1' ' O ' ' A' ' 104' ' ' TYR . 1.5 mp -126.92 120.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.41 154.65 39.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.97 -33.19 4.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.605 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.76 -23.44 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -68.38 -9.29 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG3' HG12 ' A' ' 169' ' ' VAL . 64.0 mm-40 -87.81 113.07 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' CD ' ' HB2' ' A' ' 116' ' ' SER . 0.2 OUTLIER -60.39 -19.95 57.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.495 ' HB2' ' CD ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -156.77 112.0 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.706 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.33 157.61 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.654 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 6.2 mt -128.22 140.49 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -122.01 146.72 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.582 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -129.37 121.51 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -113.95 107.79 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER 32.96 86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 77.9 -84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -54.83 133.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.812 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 56.5 p-90 -129.37 165.37 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.576 ' CE1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.49 161.44 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.14 128.05 55.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.706 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 12.2 t -114.3 121.19 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.495 ' NH2' ' CD2' ' A' ' 138' ' ' LEU . 16.2 ptt180 -120.76 152.42 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -94.94 126.56 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.499 HD13 ' CB ' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -115.59 121.37 42.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.05 -89.87 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.39 22.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.496 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 8.7 mm100 -132.63 159.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 6.8 m95 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 5.5 m-85 -131.75 134.24 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.85 145.5 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.495 ' CD2' ' NH2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -143.07 139.19 30.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 138' ' ' LEU . 10.9 t30 172.08 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.422 ' OG ' ' ND2' ' A' ' 139' ' ' ASN . 20.1 p 172.19 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -69.08 -22.26 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.461 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.81 -3.62 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.29 26.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.351 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 144.47 -165.11 27.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 93.87 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.88 112.3 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -67.36 123.22 19.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 43.2 mt -117.75 116.01 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.39 146.02 36.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 112' ' ' ILE . 3.9 m-20 -55.06 -31.69 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.74 -23.03 31.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.556 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -85.02 -45.73 11.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.0 -48.04 70.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -65.69 -43.85 87.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.581 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.31 -36.72 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -65.52 -51.56 59.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 10.4 mt -58.28 -34.89 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.41 87.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.581 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -59.9 -48.5 81.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.532 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -67.62 -37.13 82.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.506 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -61.51 -46.63 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -70.97 -29.01 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.76 -28.96 62.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.86 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.699 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.27 108.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.506 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.4 OUTLIER -166.37 69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.995 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 160' ' ' LEU . 8.0 mt -134.92 136.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.709 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 141.71 51.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.53 ' O ' HD21 ' A' ' 96' ' ' LEU . 34.0 m -108.87 124.57 65.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 89' ' ' LEU . 3.8 t -86.96 110.24 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -115.05 141.23 48.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 135.03 -151.98 20.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.475 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -94.7 118.8 32.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -102.19 132.28 21.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.99 -168.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -135.43 159.13 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.51 -171.77 3.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 2.7 mm-40 -52.67 -37.98 59.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.499 ' CB ' HD13 ' A' ' 131' ' ' LEU . . . -55.6 -33.61 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.58 -40.72 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -80.02 -25.21 40.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 181' ' ' GLN . 86.2 mt -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.6 OUTLIER -62.13 -44.94 95.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 185' ' ' MET . 0.9 OUTLIER -153.96 -79.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.512 ' C ' ' O ' ' A' ' 184' ' ' GLN . 4.7 ttt -26.76 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 184' ' ' GLN . 3.5 mp -85.46 -102.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.42 ' N ' HG21 ' A' ' 186' ' ' ILE . 0.0 OUTLIER 57.68 91.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.02 116.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -174.45 76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.3 Cg_endo -74.95 -17.36 19.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER 86.44 -51.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.02 98.28 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.456 ' C ' ' H ' ' A' ' 7' ' ' GLU . 54.3 p -60.82 -33.57 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.504 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 6.9 mtt -53.39 -9.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 5' ' ' SER . 16.2 pt-20 -52.9 -47.74 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.49 54.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.712 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 10.9 mt -103.21 123.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.712 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 166.24 -139.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.703 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -81.92 135.54 35.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' OE2' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -72.25 -29.28 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -113.54 -102.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.5 pm0 -89.77 153.78 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.46 63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . -58.78 -155.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t 163.33 121.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.047 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 19' ' ' CYS . 4.3 pp -177.85 -66.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.573 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 83.9 m -116.01 173.61 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.38 -25.5 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 3.1 tt0 -47.75 -33.55 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 t60 -54.69 -51.23 66.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 139' ' ' ASN . 26.4 m -65.68 -37.33 86.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 85' ' ' ILE . 34.8 tp -62.39 -45.68 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' CB ' ' NE2' ' A' ' 11' ' ' HIS . 30.9 m120 -60.02 -43.84 94.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.592 ' OD1' ' CG ' ' A' ' 11' ' ' HIS . 59.2 m-80 -71.7 -38.43 70.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' CD ' ' A' ' 129' ' ' ARG . 3.8 tp -65.39 -43.45 90.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.626 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 1.2 mp -74.81 -13.29 60.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 29' ' ' GLN . 1.2 tm0? 67.59 100.91 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . 118.92 -88.05 0.43 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER 156.45 -94.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 52.1 41.69 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.75 143.73 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.041 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -119.02 174.08 3.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.604 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.01 -46.09 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -55.96 -41.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.8 mt-10 -59.95 -41.61 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HG ' ' CG2' ' A' ' 84' ' ' VAL . 2.5 tp -59.93 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -58.2 -46.05 86.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -68.72 -48.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.702 ' O ' HD11 ' A' ' 45' ' ' LEU . . . -58.03 -41.52 83.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' SER . 16.4 m170 -68.96 -41.66 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -70.98 -47.14 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.81 -36.03 82.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 19.9 m-20 -65.52 -44.82 85.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -47.31 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -63.65 -46.24 86.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -65.39 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.5 ttp180 -71.31 -47.48 56.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.536 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 26.9 ptm -71.98 -48.65 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -58.1 -46.67 85.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.562 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.6 ptm -72.54 -39.03 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.45 -48.65 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -71.08 -30.61 66.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.19 -3.95 88.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.638 ' C ' HG13 ' A' ' 58' ' ' VAL . . . 93.11 -32.05 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.5 p 49.73 8.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.611 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.3 t 37.31 19.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.99 -51.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.044 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 9.1 mt-10 -53.2 -47.96 68.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 2.6 m-20 -56.86 -33.08 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.646 ' CD2' HG12 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.79 -53.41 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.08 -30.18 70.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.34 -50.29 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -78.99 -28.23 43.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.543 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 8.5 mt -55.12 -9.74 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 66' ' ' PHE . 60.3 mm-40 -89.51 -1.84 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.621 ' HB2' ' HD3' ' A' ' 70' ' ' PRO . 8.0 mt-30 -88.53 -49.36 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' HD3' ' HB2' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.06 -171.77 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -37.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' MET . . . -156.06 37.84 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 81' ' ' SER . 82.7 m-20 60.07 -85.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 19.9 ptm -172.83 157.09 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.47 178.69 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.16 18.14 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -96.98 -0.35 47.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.504 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 127.49 40.87 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.7 128.48 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 29.4 m-85 -110.07 158.57 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.537 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -67.78 139.73 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.71 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.78 -27.41 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.555 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -61.88 -25.67 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.611 ' CG2' ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -60.88 -39.11 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -65.3 -44.12 94.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 11.3 t -56.1 -45.57 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.677 HD22 ' HG ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -64.37 -38.28 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.63 -35.5 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.671 ' C ' ' O ' ' A' ' 94' ' ' LEU . 2.0 mt -67.81 -50.11 58.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.654 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.29 -45.19 84.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 88' ' ' ALA . 12.0 m -72.29 -22.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.626 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.4 m95 -81.8 -20.44 39.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.26 -38.09 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.671 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.55 169.73 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.5 pt-20 -126.93 153.36 45.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.5 125.78 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 1.2 pp -131.61 158.85 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.627 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -65.24 133.98 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 40.1 t80 -86.79 -44.02 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.4 OUTLIER -31.71 -48.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.634 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.4 t -16.63 104.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.41 14.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.6 mt-10 -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.657 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.5 m-85 -68.13 -46.52 70.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -55.54 -47.11 76.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -65.1 -40.05 94.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.2 -24.94 67.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.9 OUTLIER 129.85 60.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.657 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.85 118.47 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.605 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.08 154.35 40.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -75.0 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.536 HG21 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -77.36 -19.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.605 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -64.39 -16.89 63.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CG2' ' A' ' 169' ' ' VAL . 4.0 mm-40 -89.39 -178.14 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -112.78 -30.8 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.35 131.48 24.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -131.71 151.95 51.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.1 mt -124.62 142.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 144.56 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.504 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -134.93 125.53 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.66 108.33 16.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 36.28 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -103.61 112.06 24.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 5.9 t-160 95.25 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.842 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.6 p-90 -128.86 165.22 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.564 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -128.49 161.48 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.25 140.09 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 20.6 t -125.74 128.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.493 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.93 150.23 51.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -73.17 111.76 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 1.2 tp -108.27 121.94 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.508 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.76 -100.26 0.74 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 14.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -141.28 160.47 40.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 2.6 m95 -84.63 136.49 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.634 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 -132.87 140.03 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -91.53 149.65 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -144.24 134.53 24.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.409 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 25.9 t30 174.81 -72.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.1 t 174.54 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.564 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -68.47 -23.84 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.48 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.37 -2.85 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.05 27.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 144.43 -168.05 26.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -54.34 146.05 16.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.602 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 1.2 mt -94.19 123.45 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.0 mt -121.2 125.09 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 151.33 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 112' ' ' ILE . 1.7 m-20 -55.85 -34.81 65.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.57 -15.98 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.618 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -90.52 -43.22 10.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 24.0 tp -54.04 -48.43 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.441 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.75 -44.43 85.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -61.99 -35.47 78.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -65.82 -48.85 70.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 7.1 mt -60.74 -35.07 75.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.77 88.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.605 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -59.94 -48.43 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.64 -35.13 79.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -64.07 -46.88 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.33 -26.67 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.54 -33.67 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.5 -96.6 0.1 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.714 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.47 111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -175.27 76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' A' ' 99' ' ' PHE . 8.5 mt -134.73 132.33 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -124.05 117.91 25.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -88.24 123.13 40.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.536 ' CG1' ' CD1' ' A' ' 89' ' ' LEU . 2.8 t -86.74 120.71 36.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -126.36 133.8 51.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.41 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 142.52 -157.46 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 2.9 m-20 -86.96 119.51 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.24 132.42 21.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.95 -179.53 5.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.23 143.8 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 -166.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.64 -37.8 59.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.12 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.32 -34.91 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.443 ' HA ' ' CB ' ' A' ' 185' ' ' MET . 75.8 mt-30 -75.52 -39.89 57.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.458 HD12 HG13 ' A' ' 9' ' ' ILE . 16.6 mt -61.75 -30.83 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.508 HD23 ' CA ' ' A' ' 132' ' ' GLY . 0.8 OUTLIER -56.62 -45.46 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 186' ' ' ILE . 2.9 mt-30 -145.79 -56.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.443 ' CB ' ' HA ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -53.54 85.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 184' ' ' GLN . 28.0 mm -109.71 158.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -110.26 162.79 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 71.0 t -70.35 -63.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -159.85 101.24 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.2 -63.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.19 130.8 5.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.519 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -75.46 -48.88 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -55.4 -9.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' SER . 5.0 mm-40 -64.89 -10.1 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.16 41.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.625 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.9 mt -87.14 123.61 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 156.89 -162.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 4.5 t60 -101.84 135.64 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -75.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 3.8 mttt -55.15 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.681 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -128.7 151.3 49.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' C ' ' HB3' ' A' ' 22' ' ' HIS . 2.5 pm0 -116.49 166.56 11.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -33.59 122.91 0.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.5 m -157.04 -77.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -73.19 -65.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.544 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 4.7 p -115.66 155.42 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.98 -24.54 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.649 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.7 -37.22 8.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 1.3 m-70 -54.9 -56.88 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' SG ' ' HB ' ' A' ' 127' ' ' THR . 49.6 t -60.45 -33.83 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 89' ' ' LEU . 9.8 tp -67.52 -38.67 84.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLN . 24.1 m-20 -61.45 -44.98 96.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' CG ' ' HB2' ' A' ' 11' ' ' HIS . 62.0 t30 -63.59 -44.07 95.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tp -63.04 -39.45 94.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.2 -32.75 70.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 27.6 tt0 150.14 -65.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -142.11 -178.13 17.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HG3' ' CD ' ' A' ' 14' ' ' GLN . 4.7 tt0 -76.4 97.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -132.4 38.18 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' HB3' ' HG3' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -159.29 154.57 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.63 170.37 5.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.552 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.0 Cg_endo -75.04 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.84 -37.1 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.7 mt-10 -60.18 -44.08 95.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.649 ' CD1' ' HB2' ' A' ' 21' ' ' GLN . 4.3 mt -57.25 -42.12 80.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -62.98 -45.74 90.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.99 -35.43 76.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.58 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -70.95 -47.64 61.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -55.25 -47.34 75.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.1 m170 -68.01 -38.09 82.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 42.7 mt-30 -71.96 -34.7 69.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 ' CD2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -68.4 -46.64 69.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.4 t0 -61.0 -44.88 96.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 51' ' ' MET . 14.3 tt0 -74.01 -46.43 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -66.3 -53.67 33.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.9 mm-40 -59.69 -41.22 90.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.8 ttp180 -60.3 -49.14 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.577 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.1 ptm -73.11 -39.79 65.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -61.24 -51.06 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.585 ' HE3' ' CD1' ' A' ' 63' ' ' TYR . 9.4 ptm -72.31 -37.38 68.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -69.62 -48.51 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -71.67 -32.11 67.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.34 -5.68 89.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' C ' HG12 ' A' ' 58' ' ' VAL . . . 93.19 -27.53 11.38 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.719 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 p 48.48 10.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.622 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.35 20.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.719 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 63.43 -50.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -53.13 -47.8 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.26 -33.22 65.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 53' ' ' MET . 0.1 OUTLIER -68.99 -53.34 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -28.49 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -70.13 -48.95 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.56 -36.3 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 63' ' ' TYR . 12.8 mt -46.29 -22.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 66' ' ' PHE . 27.0 mm-40 -61.47 -31.02 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.1 mt-30 -58.86 161.79 8.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.04 131.74 14.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.2 p -91.14 -152.74 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 98.22 -0.7 58.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 87.4 m-20 62.98 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.665 ' CE ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 ppp? -178.62 158.04 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.472 ' O ' ' SD ' ' A' ' 74' ' ' MET . 36.9 t0 -110.93 164.82 12.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.25 -1.36 12.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 p -75.23 -8.33 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . 121.15 42.28 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -152.49 134.22 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.665 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 77.7 m-85 -119.45 160.36 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.602 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.26 139.75 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.728 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -63.86 -26.85 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.539 ' CB ' HD23 ' A' ' 45' ' ' LEU . 1.2 mt-30 -61.32 -24.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.602 ' CG2' ' O ' ' A' ' 81' ' ' SER . 8.0 m -61.32 -37.59 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.508 HD12 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -68.18 -37.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 22.8 t -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.677 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 4.0 m-80 -65.34 -40.33 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 92' ' ' TRP . . . -71.03 -35.05 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.823 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.78 -50.59 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.58 -43.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 88' ' ' ALA . 18.0 m -75.65 -20.13 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -84.98 -21.15 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.66 -52.62 0.75 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.823 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -89.59 171.1 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 159.76 32.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.222 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.59 125.6 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.527 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.3 pp -132.6 158.95 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.86 138.83 58.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' O ' ' C ' ' A' ' 100' ' ' ASN . 25.8 t80 -90.07 -47.09 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.656 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -27.65 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -21.79 106.73 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.02 -14.88 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.03 -46.89 55.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.639 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.7 m-85 -68.02 -46.79 70.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -54.98 -47.0 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -64.63 -40.97 96.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -63.27 -25.08 68.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER 129.76 64.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.639 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.9 117.48 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.478 ' CB ' ' CG ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -107.77 153.58 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -75.01 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.86 -18.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.478 ' CG ' ' CB ' ' A' ' 110' ' ' ASP . 7.8 m-20 -59.98 -15.05 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 2.2 tp10 -94.95 -176.93 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -122.5 -11.14 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.415 ' HG ' ' CG2' ' A' ' 170' ' ' VAL . 0.0 OUTLIER -156.47 114.39 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -113.99 158.24 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.505 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.2 mt -128.64 133.48 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 24.2 m -120.91 147.64 45.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.9 OUTLIER -129.34 118.0 21.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -113.93 108.11 16.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 36.83 87.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 2.3 mp0 71.85 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -53.76 133.79 42.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.728 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 35.1 p-90 -129.18 164.46 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.566 ' CE2' HD23 ' A' ' 141' ' ' LEU . 32.7 m-85 -130.28 162.36 29.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.412 ' HB ' ' SG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -112.1 133.7 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.387 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 117' ' ' PHE . 5.8 t -113.5 127.45 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.534 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 1.8 ttp85 -123.56 157.35 33.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 17.1 pttt -85.44 128.93 34.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.802 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -111.44 92.52 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.5 -82.97 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.99 19.73 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -141.24 131.66 25.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CD1' HG23 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -82.95 131.75 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.006 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.802 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 6.2 p90 -135.17 138.04 43.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.98 147.4 43.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.37 137.77 30.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 140' ' ' SER . 1.2 t30 169.34 -74.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.8 OUTLIER 159.83 31.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -103.85 -28.38 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.574 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -103.05 1.67 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.47 21.36 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -179.48 158.73 22.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 88.74 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.71 115.5 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.514 ' HG ' ' CE ' ' A' ' 6' ' ' MET . 34.6 mt -68.38 131.89 46.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 135' ' ' TRP . 87.1 mt -106.48 113.92 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.25 144.1 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 112' ' ' ILE . 1.5 m-20 -55.21 -31.89 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.63 -16.75 43.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -90.39 -42.63 10.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.647 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -54.18 -48.32 71.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.95 -45.93 79.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.586 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.55 -35.63 78.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -66.23 -48.6 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 9.8 mt -59.44 -36.51 76.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.69 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.586 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -59.84 -48.56 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -67.76 -38.58 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.4 mt-30 -62.27 -45.8 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 159' ' ' GLN . 5.8 pt20 -71.09 -28.37 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.42 -29.01 61.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.89 -98.56 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 117.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 177.73 73.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 161' ' ' GLN . 2.2 mt -135.15 138.31 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.728 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 137.43 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.492 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -106.24 127.17 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 89' ' ' LEU . 4.6 t -89.56 119.88 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.25 142.78 51.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.545 ' O ' ' NH2' ' A' ' 115' ' ' ARG . . . 131.57 -159.2 23.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.4 t70 -89.59 118.6 29.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.528 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -105.11 133.81 19.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.528 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -124.83 160.43 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.33 -170.5 3.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 0.6 OUTLIER -62.79 -42.54 99.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.59 80.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.71 -35.03 72.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 185' ' ' MET . 61.9 mt-30 -71.67 -43.41 66.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.519 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 29.4 mt -60.47 -33.9 73.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.469 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER -56.97 -48.15 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.404 ' HG3' HD13 ' A' ' 183' ' ' LEU . 27.9 mt-30 -161.31 -70.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -36.75 117.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 3.0 mp -105.45 -95.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 82.83 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.75 65.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -179.7 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.47 -51.55 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.19 119.97 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.3 OUTLIER -72.2 -48.67 41.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.507 ' HE1' ' CE2' ' A' ' 136' ' ' PHE . 8.1 mtt -52.57 -16.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.13 -25.88 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.81 52.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 6.3 mt -90.03 123.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.734 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 165.1 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.618 ' CD2' ' HG3' ' A' ' 12' ' ' GLU . 9.1 t-160 -112.99 135.5 53.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.618 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 1.2 pt-20 -40.56 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -87.0 124.82 33.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 25' ' ' ASN . 4.7 tp60 -135.84 118.03 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -36.87 -74.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . -160.12 -95.45 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 2.5 p 158.38 93.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 19' ' ' CYS . 3.9 pp -126.42 -52.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' N ' HD11 ' A' ' 18' ' ' LEU . 26.6 p -115.49 173.87 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.751 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.66 -24.59 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -46.82 -34.16 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 23' ' ' CYS . 4.6 p-80 -61.98 -46.54 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.11 -38.97 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' HG13 ' A' ' 85' ' ' ILE . 25.9 tp -60.21 -46.37 89.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' OE1' ' A' ' 14' ' ' GLN . 5.6 m-20 -61.19 -41.81 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' OD1' ' OE1' ' A' ' 14' ' ' GLN . 79.5 m-20 -71.93 -25.61 61.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.16 -47.67 27.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 21.9 mt -77.56 -20.43 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 29' ' ' GLN . 3.5 tt0 66.63 72.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 159.12 119.64 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -74.63 82.24 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.3 m-85 -129.93 45.05 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -159.0 153.0 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -129.6 -179.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.628 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.0 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -35.92 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 5.9 mt-10 -59.4 -49.67 76.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' CB ' ' CD2' ' A' ' 80' ' ' PHE . 9.0 mt -57.54 -42.19 82.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 14.7 t -60.82 -45.56 93.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -33.17 71.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.75 -48.51 57.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -57.01 -47.98 79.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.736 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.1 m170 -60.68 -48.16 83.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 16.1 mt-30 -65.06 -34.27 78.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.648 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.06 -48.42 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.03 -39.77 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 51' ' ' MET . 13.1 mt-10 -70.62 -47.75 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -73.49 -48.83 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' ' CZ ' ' A' ' 66' ' ' PHE . 20.0 tt0 -59.43 -35.88 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 14.6 ttt180 -71.19 -46.78 60.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 15.9 mtm -71.47 -51.47 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 ptm -72.9 -41.2 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.86 -48.82 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -78.11 -55.67 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -42.06 -22.51 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 97.19 58.85 1.0 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.622 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.5 p -50.7 -21.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.622 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 5.5 t 50.87 15.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.6 t 79.93 -43.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.43 -47.09 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' CB ' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -62.32 -33.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.37 -53.33 30.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -67.05 -27.47 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -50.03 44.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.65 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -78.91 -44.19 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 10.0 mt -35.46 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 26.1 mm-40 -49.01 -22.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -75.33 161.47 76.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -138.32 -131.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 82.28 33.84 24.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 76.8 m-20 64.37 -74.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.736 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -165.22 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.658 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 38.9 p-10 -109.59 157.91 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -136.34 8.58 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.2 -36.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.658 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -67.44 159.42 29.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 63.8 m-85 -120.28 160.65 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 8.7 p -66.47 139.79 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.728 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -58.56 -26.59 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.622 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 1.1 mp0 -60.98 -27.8 68.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 81' ' ' SER . 8.4 m -61.39 -36.39 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.506 ' CD1' ' CH2' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -67.16 -42.67 88.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.0 t -58.13 -44.85 88.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.666 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.5 -41.48 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.89 -37.13 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.674 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -67.29 -49.34 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -56.51 -44.64 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.2 m -74.82 -20.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.643 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -81.35 -21.06 39.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.7 -45.0 1.15 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.674 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.6 pt? -90.47 166.99 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG2' ' HG3' ' A' ' 171' ' ' LYS . 18.5 pm0 -122.34 155.63 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 168' ' ' PHE . 0.0 OUTLIER -124.4 126.32 45.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.9 pp -136.65 159.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.557 ' CD1' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.64 135.19 55.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' O ' ' C ' ' A' ' 100' ' ' ASN . 13.9 t80 -87.32 -45.19 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 166' ' ' SER . 10.3 m-20 -27.88 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.6 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 2.0 t -23.38 107.07 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.49 20.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 12.9 mt-10 -68.93 -47.01 66.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.675 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.18 -46.82 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.44 -46.47 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -66.54 -38.46 87.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.744 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.34 -24.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt-85 131.38 60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.675 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.7 117.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -107.51 153.94 41.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.611 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.96 -40.58 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.621 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -80.7 -19.12 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 7.4 m-20 -63.36 -12.82 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.3 tp10 -96.35 175.25 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.445 ' NH1' HD12 ' A' ' 174' ' ' LEU . 0.2 OUTLIER -115.11 -22.13 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.76 114.38 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.624 ' CE1' ' CG2' ' A' ' 169' ' ' VAL . 0.2 OUTLIER -118.02 141.75 48.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.594 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.1 mt -117.92 135.8 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.91 147.26 50.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -131.46 126.53 35.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.89 108.1 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.98 -89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.5 tt0 -108.08 112.75 25.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.0 t-160 97.0 141.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.751 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 39.9 p-90 -128.96 164.88 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -128.85 152.82 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 126.72 53.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 117' ' ' PHE . 8.9 t -107.78 121.56 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.34 151.53 35.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -80.18 123.62 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 1.3 tt -115.75 122.11 44.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 183' ' ' LEU . . . 51.71 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 15.04 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -135.31 137.6 42.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.621 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 5.7 m95 -73.0 124.8 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 3.7 m-85 -115.41 138.48 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.423 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER -94.07 144.09 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.423 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -140.94 127.54 20.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 126' ' ' PHE . 10.0 t-20 175.68 -67.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.1 p 165.06 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.612 ' CD2' ' CG ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.52 -19.31 64.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.438 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.01 -2.97 55.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.19 24.23 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.409 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.95 -176.18 25.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.44 4.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -46.78 158.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -102.29 124.01 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 41.7 mt -114.39 112.78 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.28 149.71 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.42 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -55.02 -33.56 62.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.1 t -83.92 -17.48 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.428 ' O ' HD11 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -85.16 -44.83 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.27 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.32 -42.42 88.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.636 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.04 -40.19 94.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -61.75 -52.08 65.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.882 ' O ' ' CD1' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.66 -32.43 70.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 162' ' ' GLN . . . -69.89 -34.52 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.636 ' CG ' HD23 ' A' ' 155' ' ' LEU . 1.2 mm-40 -68.91 -50.53 48.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.882 ' CD1' ' O ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -67.86 -32.14 72.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.631 ' N ' HD13 ' A' ' 160' ' ' LEU . 1.9 mt-30 -63.62 -46.57 85.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 158' ' ' ALA . 1.7 mp0 -71.43 -30.28 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 2.1 mm-40 -70.0 -39.48 75.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.633 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.73 -96.22 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.06 130.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.685 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.1 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -112.19 139.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.728 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -124.42 119.52 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.624 ' CG2' ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -86.07 122.41 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 89' ' ' LEU . 3.2 t -90.74 111.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 95' ' ' GLU . 4.5 ptpt -117.8 144.92 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 128.58 -150.08 18.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.417 ' O ' HD22 ' A' ' 94' ' ' LEU . 13.0 t0 -97.15 119.04 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.445 HD12 ' NH1' ' A' ' 115' ' ' ARG . 2.0 tm? -111.86 127.29 27.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.97 5.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -45.31 165.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.445 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 3.9 t -127.02 169.89 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.474 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.1 mt-10 -52.91 -42.48 65.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.28 -34.71 70.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.29 -37.99 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 5' ' ' SER . 12.3 mt -62.85 -30.34 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.477 ' CD2' ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.95 -46.41 82.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.16 -146.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.07 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 187' ' ' ARG . 2.9 mp -87.77 -102.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.432 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.4 OUTLIER 50.12 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 31.7 m -41.24 136.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -159.26 -58.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.77 -60.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.42 119.09 3.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER -76.19 -48.93 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 31.6 mtp -52.93 -18.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.7 -34.31 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.98 58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.901 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.8 mt -96.13 122.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.901 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 156.56 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.726 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 3.5 t-80 -112.92 131.78 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.688 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 0.6 OUTLIER -38.05 -98.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.726 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 39.34 -161.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.788 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -108.76 134.13 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -99.83 57.56 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.82 -29.4 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.19 56.85 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 2.3 pp -123.74 -59.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 29.9 p -116.33 174.09 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -56.42 -24.93 48.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 31.0 tp60 -46.84 -26.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -62.78 -49.1 76.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.536 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' LEU . 1.3 m -70.72 -31.96 68.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD2' HG13 ' A' ' 85' ' ' ILE . 48.5 tp -65.16 -46.14 82.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -63.52 -43.66 96.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.42 -24.91 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' CYS . 6.4 tp -74.39 -47.48 33.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.683 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -69.1 -32.69 72.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.59 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 80.45 18.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.789 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -149.49 121.17 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.644 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -76.66 92.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.789 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -144.12 43.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.07 154.79 26.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -130.12 -178.9 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -48.25 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.76 -36.67 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 2.5 mt-10 -62.75 -43.96 97.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.38 -39.15 75.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.611 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -66.02 -45.66 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.7 p -68.27 -31.74 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.06 -49.29 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -55.4 -48.12 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 39' ' ' SER . 8.9 m170 -63.09 -48.02 80.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 17.8 mt-30 -61.84 -34.59 76.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -62.85 -48.0 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.77 -41.83 91.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.47 -43.61 59.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.2 OUTLIER -70.02 -53.5 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.4 mp0 -59.77 -39.14 83.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 23.8 ttt180 -61.87 -49.94 74.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.7 ptm -73.73 -43.91 57.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -56.61 -51.72 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 28.6 mtp -72.92 -50.99 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -55.57 -48.8 74.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' C ' ' N ' ' A' ' 57' ' ' GLY . 2.5 mt-10 -78.82 -56.51 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.12 -19.25 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 96.5 56.62 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.62 ' N ' ' O ' ' A' ' 53' ' ' MET . 7.7 p -49.48 -22.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 0.714 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.3 t 51.54 13.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.371 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 58' ' ' VAL . 0.7 OUTLIER 80.76 -44.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -47.44 70.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.543 ' CB ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -66.57 -53.32 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -27.34 68.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -49.77 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.48 -43.08 27.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mt -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.4 mm-40 -48.69 -23.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -72.15 160.75 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 83' ' ' GLN . 18.3 Cg_endo -74.99 131.9 14.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -97.79 -154.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 96.64 6.54 58.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.84 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.498 ' HE2' ' CD1' ' A' ' 80' ' ' PHE . 23.8 ptm 175.69 -172.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -93.72 -176.1 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -81.4 -59.32 2.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 78.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.74 -36.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -145.84 148.4 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.4 m-85 -119.65 157.95 27.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.593 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 23.3 t -67.45 150.57 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.724 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.27 -26.95 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.364 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.9 mt-30 -61.87 -26.75 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.593 ' CG2' ' O ' ' A' ' 81' ' ' SER . 4.7 m -60.62 -37.48 75.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.513 HG13 ' CD2' ' A' ' 24' ' ' LEU . 1.1 mp -65.81 -36.48 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 30.6 t -64.52 -45.22 88.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.653 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -62.2 -39.52 93.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.612 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.33 -35.53 68.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.689 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -66.67 -50.05 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 13.5 ptmt -57.17 -46.76 82.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 88' ' ' ALA . 17.4 m -72.52 -19.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.1 m95 -82.79 -21.13 34.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.82 -45.3 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.2 171.02 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.2 pt-20 -128.61 154.72 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 20.2 tp -125.14 130.84 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.554 ' CD1' ' CG2' ' A' ' 169' ' ' VAL . 2.6 pp -134.18 159.47 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.35 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.649 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 18.4 t80 -89.04 -47.55 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.598 ' O ' ' C ' ' A' ' 101' ' ' SER . 26.2 m120 -24.94 -49.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -21.6 104.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.03 20.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.16 -46.86 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.611 ' CD1' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.43 -47.54 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.649 ' NE2' ' CE1' ' A' ' 99' ' ' PHE . 1.3 mt-30 -55.16 -46.49 75.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -70.1 -30.94 68.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -67.99 -26.28 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 8.1 ptt-85 133.37 55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.611 HD12 ' CD1' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -127.54 121.09 56.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.452 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.19 154.72 40.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.96 -34.18 4.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.78 -29.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.7 m-20 -50.04 -23.69 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 4.6 mm-40 -94.21 134.15 36.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.504 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.1 OUTLIER -86.2 -5.74 59.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.14 103.9 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -114.44 158.27 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.538 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.1 mt -128.73 139.41 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.43 143.87 51.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -132.24 124.98 30.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.93 108.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 37.76 -90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.6 tt0 -106.21 112.18 25.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.623 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.8 t-160 98.28 139.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 44.5 p-90 -129.2 164.59 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.24 155.21 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.22 123.53 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 117' ' ' PHE . 16.9 t -105.35 121.93 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -123.25 160.57 26.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 4.9 ttpt -91.64 127.87 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.673 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 31.3 mt -119.17 122.21 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.38 -87.15 0.25 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -149.32 22.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 5.7 m95 -84.94 143.39 29.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 107.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.673 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 13.2 m-85 -143.77 136.41 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.547 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 1.6 p-10 -93.48 147.33 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.4 OUTLIER -151.09 145.8 25.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 140' ' ' SER . 5.8 t30 175.51 -51.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.3 m 153.38 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -76.99 -30.03 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -84.1 -8.33 59.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.546 ' N ' HD23 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 49.66 22.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 157.69 174.44 27.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -74.96 84.39 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.18 158.1 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 136' ' ' PHE . 1.3 mt -102.17 124.49 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.547 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 42.5 mt -119.81 114.97 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 145.12 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.69 -32.49 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -83.93 -19.61 34.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.445 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -87.26 -43.37 12.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.412 ' O ' HD21 ' A' ' 153' ' ' LEU . 0.8 OUTLIER -54.04 -47.9 71.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.493 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.66 -44.22 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.584 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.07 -38.15 90.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -64.58 -51.92 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -58.26 -34.61 70.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.64 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.584 ' CG ' HD22 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.11 -48.34 82.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -68.11 -32.68 73.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.7 mt-30 -66.42 -46.52 76.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.78 -28.88 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.22 -33.25 65.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.712 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -167.88 -98.26 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.712 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.29 112.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.045 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -174.08 70.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.422 ' O ' HD11 ' A' ' 98' ' ' LEU . 9.7 mt -133.72 137.36 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.724 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -124.51 143.12 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.554 ' CG2' ' CD1' ' A' ' 97' ' ' ILE . 28.1 m -109.98 132.34 58.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.502 ' CG1' ' CD1' ' A' ' 89' ' ' LEU . 17.3 t -93.11 110.09 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.0 ptpt -113.06 144.92 41.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 121.77 -162.47 15.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.9 t0 -86.58 118.62 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.502 ' CD2' ' HD2' ' A' ' 175' ' ' PRO . 1.7 tm? -105.43 129.89 23.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.502 ' HD2' ' CD2' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.02 117.08 4.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.478 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.7 OUTLIER -60.88 152.0 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 7.7 p -116.71 -170.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.21 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -55.69 -33.8 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 183' ' ' LEU . 0.0 OUTLIER -58.15 -35.86 72.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.7 OUTLIER -79.04 -37.68 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 5' ' ' SER . 12.3 mt -62.98 -27.26 69.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.52 -29.32 61.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 183' ' ' LEU . 6.4 mt-30 -171.58 -63.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -33.23 151.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 184' ' ' GLN . 3.7 mp -140.21 -78.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLN . 0.4 OUTLIER -51.27 -51.98 49.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 189' ' ' GLN . 10.8 t 64.53 -77.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 187' ' ' ARG . 0.3 OUTLIER -135.26 -63.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' HA3' ' CA ' ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 185' ' ' MET . 18.1 Cg_endo -75.04 -176.87 3.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -99.25 -45.66 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.6 116.17 2.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -56.86 -33.02 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.6 mtt -51.89 -15.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' SER . 44.0 mm-40 -66.98 -46.88 73.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' HD22 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -125.76 56.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.834 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -105.59 123.03 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 160.78 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -112.95 134.73 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.556 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 3.7 pt-20 -62.58 -140.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER 40.39 -136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.504 ' O ' ' NE2' ' A' ' 11' ' ' HIS . 1.6 pm0 -89.87 159.41 16.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.08 54.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.89 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.46 59.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.941 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.534 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.87 -55.54 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 4.0 p -115.79 173.7 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.14 -24.88 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' CG ' HD22 ' A' ' 38' ' ' LEU . 1.3 tm0? -47.52 -31.53 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -56.83 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . 9.3 m -63.92 -33.9 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 89' ' ' LEU . 17.7 tp -65.04 -46.12 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 27.6 m120 -59.39 -42.08 90.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.549 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 2.0 m120 -74.75 -32.02 61.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' CYS . 6.3 tp -66.96 -47.57 71.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.782 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.36 -12.03 60.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 88.32 -14.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -152.71 146.23 14.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -61.02 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 68.76 35.07 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.63 154.85 25.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -128.58 179.36 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.08 -44.07 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.85 -42.03 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HA ' ' OG ' ' A' ' 40' ' ' SER . 19.0 mt-10 -62.92 -40.33 97.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.636 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 3.2 tp -61.83 -44.51 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 t -62.49 -38.73 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -74.2 -31.05 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.759 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.4 tt -71.86 -42.66 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -65.05 -47.37 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.5 m170 -61.27 -47.95 83.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLU . 28.7 mm-40 -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.77 -46.47 85.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 6.0 t0 -60.2 -44.55 95.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.3 mt-10 -73.35 -46.71 47.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.3 tt0 -67.33 -53.4 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.6 mt-10 -59.7 -38.95 83.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.7 ttt180 -60.85 -49.3 78.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.1 ptm -73.35 -43.34 60.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 51' ' ' MET . 1.3 ttt180 -61.49 -47.89 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' VAL . 5.4 ptm -72.56 -42.74 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.2 -48.8 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -77.48 -54.06 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.82 -20.26 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 99.16 60.1 0.88 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 p -45.55 -25.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.1 t 51.88 16.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 58' ' ' VAL . 8.3 t 75.4 -50.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -53.34 -47.16 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.04 -33.33 71.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.3 -53.6 34.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.534 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 9.1 mmm180 -67.12 -27.12 67.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -50.44 51.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.95 -43.05 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 13.1 mt -37.89 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' PHE . 38.8 mm-40 -50.04 -20.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.9 mm-40 -74.51 161.06 79.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -97.19 -170.81 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.07 -12.3 31.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.1 m-20 74.96 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.615 ' HE3' ' CD2' ' A' ' 80' ' ' PHE . 9.3 ptm 168.79 -172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.604 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.9 t0 -93.26 -175.96 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.49 -55.59 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.03 72.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.92 -37.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -143.35 145.23 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.5 m-85 -119.41 159.08 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -67.46 143.16 56.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.71 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -56.14 -27.7 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.7 mt-30 -62.95 -24.67 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.759 ' CG2' HG22 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -60.83 -41.31 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.512 HG22 ' CD2' ' A' ' 89' ' ' LEU . 1.1 mp -63.83 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.23 -43.22 98.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.734 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.8 OUTLIER -61.0 -45.11 96.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -70.94 -32.73 69.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.763 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -66.31 -51.56 56.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.734 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.07 -46.34 82.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 88' ' ' ALA . 3.5 m -70.38 -20.95 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.782 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 1.7 m95 -83.07 -21.29 33.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.46 -53.04 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.763 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -89.5 166.15 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.33 161.17 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.22 125.61 44.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.537 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.2 pp -131.47 159.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.688 ' CD2' ' CD2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.95 138.15 58.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.9 t80 -90.39 -44.88 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.797 HD22 ' N ' ' A' ' 166' ' ' SER . 83.0 m-20 -30.19 -43.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -24.9 109.05 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.43 20.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.6 mt-10 -69.4 -47.07 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.677 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.17 -47.04 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.5 -46.47 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.38 -38.41 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.61 -24.76 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.5 ptt180 131.09 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.677 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 118.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER -107.32 154.32 40.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.97 -40.9 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.426 HG13 ' OD1' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.4 -33.58 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 110' ' ' ASP . 3.1 m-20 -44.65 -26.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 112' ' ' ILE . 2.3 tp10 -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -111.2 1.29 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -146.02 100.27 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.661 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -118.63 154.93 31.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.53 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.7 mt -126.36 140.2 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 39.3 t -124.11 144.48 49.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 108.339 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.8 122.95 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.619 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -109.55 108.99 19.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.34 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -108.88 -73.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 143.51 52.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.812 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 51.0 p-90 -127.91 164.73 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.656 ' CD1' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.95 162.48 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.047 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.42 126.94 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.439 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 117' ' ' PHE . 42.5 t -106.11 124.23 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -126.72 148.31 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.52 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.7 tttt -72.45 122.3 21.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.679 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 8.3 mt -119.66 122.14 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 68.81 -104.38 1.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.69 12.17 6.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.486 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 11.2 mm100 -137.9 161.05 37.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 115' ' ' ARG . 3.2 m95 -83.67 142.27 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 9.4 m-85 -139.97 143.36 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.1 147.27 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.54 131.5 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 140' ' ' SER . 1.7 t30 178.8 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.431 ' N ' HD21 ' A' ' 139' ' ' ASN . 0.6 OUTLIER 165.72 -28.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.656 HD23 ' CD1' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -68.39 -23.68 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.479 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -86.83 -0.99 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.92 24.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 145.63 174.55 17.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.436 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.03 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 142.07 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -83.49 125.2 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 48.7 mt -115.38 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.35 149.78 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.426 ' OD1' HG13 ' A' ' 112' ' ' ILE . 4.2 t70 -56.42 -31.82 64.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.39 -11.06 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.527 ' O ' HD11 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -99.84 -45.77 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.29 -48.11 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.62 -43.66 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.7 -37.24 86.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -65.38 -51.91 57.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.17 -34.21 71.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.21 87.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.576 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -60.14 -48.69 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.529 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -66.07 -37.86 86.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.351 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.5 mt-30 -61.98 -46.35 89.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -70.74 -27.77 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -30.02 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.707 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.61 -95.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.707 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.94 119.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.98 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.797 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -178.09 68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 4.3 mt -134.9 136.73 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.45 134.6 53.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.8 p -102.09 123.92 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.53 ' CG1' HD21 ' A' ' 94' ' ' LEU . 4.5 t -86.74 110.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -115.06 143.29 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 129.3 -162.57 22.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.624 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 2.7 m-20 -82.58 119.25 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.538 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -111.09 134.43 21.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.538 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.5 Cg_endo -74.93 -161.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -143.26 151.34 40.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.82 -166.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.22 -40.52 64.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.611 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -55.69 -33.66 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.5 t70 -58.22 -48.67 79.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.42 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 5' ' ' SER . 1.6 tp -61.99 -40.1 94.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 184' ' ' GLN . 0.5 OUTLIER -66.21 -49.59 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.411 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.6 OUTLIER -64.04 -65.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.414 ' O ' HD11 ' A' ' 186' ' ' ILE . 3.4 mtp -72.32 107.88 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 188' ' ' VAL . 33.1 mm -149.48 160.65 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 186' ' ' ILE . 0.0 OUTLIER -45.55 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 186' ' ' ILE . 75.0 t -139.16 -64.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -150.74 -55.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.474 ' CG ' HD12 ' A' ' 186' ' ' ILE . 18.5 Cg_endo -75.02 -167.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -99.62 -53.62 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.1 109.06 1.03 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 86.4 p -76.23 -37.54 57.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.463 ' HA ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -54.02 -12.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 5' ' ' SER . 8.9 mt-10 -60.39 -40.56 91.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' CD2' ' A' ' 182' ' ' LEU . 7.9 t -129.18 42.23 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.9 mt -85.95 123.67 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 153.05 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 3.1 t60 -90.52 135.77 33.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 13' ' ' LYS . 1.2 pm0 -59.26 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' C ' ' NE2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -95.93 85.71 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.664 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -101.48 142.16 33.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.664 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.3 tt0 -153.28 71.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.82 99.75 0.14 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -129.81 88.44 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HG ' ' SG ' ' A' ' 19' ' ' CYS . 1.7 pt? -148.79 -50.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.549 ' SG ' ' C ' ' A' ' 78' ' ' GLY . 85.3 m -114.86 175.12 5.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.759 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.06 -22.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.679 ' HG3' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -45.39 -32.32 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 8.9 p-80 -60.93 -52.83 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 2.9 t -60.63 -44.38 96.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 ' CD2' HG13 ' A' ' 85' ' ' ILE . 61.6 tp -56.45 -42.82 78.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.662 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 24.8 m120 -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.77 -30.26 66.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' HB2' ' A' ' 129' ' ' ARG . 5.9 tp -73.19 -45.14 58.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 20.2 mt -78.36 -31.04 48.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 177' ' ' CYS . 0.5 OUTLIER 66.08 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.808 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 112.06 0.29 26.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.746 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 1.7 pt-20 37.55 -102.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.808 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 26.4 m-85 88.51 -29.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.679 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 4.1 p90 -110.82 138.21 47.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.645 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -88.58 -174.29 0.46 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.671 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.02 -34.09 4.06 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.08 -42.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 10.0 mt-10 -58.71 -36.53 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.631 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.9 tp -63.63 -45.09 91.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.59 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.31 -46.31 86.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -30.09 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.525 HG21 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -71.02 -50.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 84' ' ' VAL . . . -55.47 -48.2 74.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 11.5 m170 -63.89 -44.57 92.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.5 mm-40 -65.79 -33.97 77.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -63.27 -48.04 79.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -74.14 -47.11 38.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.27 -51.38 38.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.695 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.4 tp10 -59.46 -43.17 93.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 8.9 ttm180 -59.56 -49.14 78.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.541 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.4 ptm -73.02 -44.68 60.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.4 tpp180 -59.97 -48.62 80.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.0 ptm -72.31 -39.6 68.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.54 -48.18 67.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -79.87 -33.69 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.05 -15.58 60.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 93.29 55.33 1.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' O ' ' CG2' ' A' ' 59' ' ' THR . 5.9 p -51.74 -17.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 3.0 t 49.18 16.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 m 76.32 -43.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 59' ' ' THR . 2.0 mm-40 -54.65 -46.89 74.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' CB ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.84 -33.36 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -63.94 -53.48 49.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.531 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.5 mmm180 -66.84 -26.98 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -50.21 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.88 -39.76 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.4 mt -42.0 -26.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' C ' ' A' ' 66' ' ' PHE . 32.6 mm-40 -54.59 -20.52 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.599 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.8 mm-40 -65.63 160.45 60.52 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 71' ' ' SER . 18.2 Cg_endo -74.97 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.586 ' C ' ' O ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -23.91 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.51 -22.01 32.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 74' ' ' MET . 11.1 m-80 -88.06 16.12 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.633 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 13.1 ptm 49.59 167.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.61 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 8.7 t0 -110.67 -175.69 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -125.84 -37.83 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -44.66 -55.76 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.549 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 167.85 56.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.95 124.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.671 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.0 m-85 -95.05 156.42 16.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.53 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -67.86 140.73 56.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.675 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -56.01 -27.71 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 11.1 mt-30 -62.25 -24.53 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.55 ' CG2' ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -60.75 -40.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.505 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -62.43 -40.5 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 3.4 t -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.621 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -60.98 -39.88 91.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 92' ' ' TRP . . . -73.05 -35.2 66.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.687 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -67.32 -50.47 59.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 88' ' ' ALA . 8.1 m -72.32 -20.87 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.594 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -82.54 -20.76 35.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.36 -40.87 1.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.687 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -90.5 168.69 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 171' ' ' LYS . 5.0 pt-20 -127.98 154.57 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -124.72 140.55 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' CE2' ' A' ' 104' ' ' TYR . 2.4 pp -147.47 159.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -64.51 142.86 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 9.9 t80 -93.62 -37.46 11.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.859 HD22 ' N ' ' A' ' 166' ' ' SER . 66.2 m-20 -36.81 -38.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -32.02 111.9 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.92 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.3 mt-10 -74.99 -46.8 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.628 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -66.02 -45.28 82.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.35 -46.88 76.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -67.42 -34.95 78.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -68.07 -24.83 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.4 ptm180 131.83 60.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.628 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.91 118.95 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.45 153.86 40.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.677 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -28.56 9.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.68 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.27 -18.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.6 t-20 -11.27 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.2 tt0 -38.57 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER 178.69 -83.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 115' ' ' ARG . 17.0 m 179.41 133.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.677 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -124.75 158.62 32.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.447 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 4.5 mt -130.13 142.88 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 33.9 m -127.57 144.53 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 1.2 t-20 -129.68 124.69 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -112.2 109.1 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 55.24 -85.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -109.5 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.74 141.1 57.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.614 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.759 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.2 p-90 -129.1 165.29 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.547 ' CG ' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.24 159.39 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.447 ' HB ' ' SG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -116.56 124.47 49.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 117' ' ' PHE . 3.6 t -107.46 123.94 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 1.9 tmm_? -122.13 144.15 49.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.471 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.45 116.12 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.624 ' HB3' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -101.22 120.18 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 65.83 -85.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.71 28.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 9.9 mm-40 -140.16 158.38 44.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.631 ' CZ3' ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -101.58 121.41 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.012 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 2.0 m-85 -122.01 134.64 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.93 143.09 28.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -146.28 137.34 24.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.592 ' O ' ' CB ' ' A' ' 140' ' ' SER . 7.5 t-20 175.16 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.7 m 151.44 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -78.31 -12.99 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -104.85 -7.58 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.476 ' N ' HD22 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 47.62 23.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 165.61 173.38 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.73 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 133.15 55.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.602 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 25.1 tp -89.82 131.2 35.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 10.0 mt -105.05 151.18 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.3 OUTLIER -89.89 151.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.611 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -57.82 -39.83 78.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 5.9 t -83.61 -8.59 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.573 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -98.03 -48.8 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.84 -48.26 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.02 -43.28 88.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.632 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.2 -35.27 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -64.57 -50.55 66.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 3.2 mt -61.11 -34.67 75.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.01 93.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.632 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -60.71 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.6 OUTLIER -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.53 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.2 mt-30 -64.71 -46.46 82.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -71.01 -26.74 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.48 -31.2 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.674 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.01 -100.24 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.674 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 159.71 111.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.859 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -173.83 73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.8 mt -134.93 130.99 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.675 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -118.61 136.97 53.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.591 HG21 ' CE1' ' A' ' 117' ' ' PHE . 2.1 p -109.48 132.12 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.516 ' CG1' HD11 ' A' ' 94' ' ' LEU . 3.9 t -86.92 117.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -122.04 137.74 54.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.479 ' N ' HH12 ' A' ' 115' ' ' ARG . . . 132.39 -150.03 19.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 5.4 m-20 -95.36 126.16 40.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 174' ' ' LEU . 1.1 tm? -101.36 129.87 26.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.41 29.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.26 -177.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 27.5 p -176.73 169.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 0.5 OUTLIER -53.29 -41.46 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.475 ' CB ' HD13 ' A' ' 131' ' ' LEU . . . -58.39 -34.59 70.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 183' ' ' LEU . 6.3 t70 -58.16 -44.06 87.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 185' ' ' MET . 4.4 pt20 -78.3 -26.23 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 5' ' ' SER . 2.4 tp -68.14 -30.56 69.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 180' ' ' ASP . 1.1 pp -56.99 -43.09 81.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 183' ' ' LEU . 8.8 mt-30 -164.39 -70.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.482 ' O ' ' O ' ' A' ' 181' ' ' GLN . 9.4 mtt -34.39 110.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.474 HD12 ' CG ' ' A' ' 2' ' ' PRO . 42.9 mm -95.58 151.18 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.416 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.0 OUTLIER -71.24 144.57 50.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 189' ' ' GLN . 13.5 p -58.32 -53.48 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 188' ' ' VAL . 0.0 OUTLIER -174.52 87.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.561 1.822 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.11 -63.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.71 128.28 6.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.1 OUTLIER -76.24 -48.49 20.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.514 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 26.8 ttm -58.33 -11.64 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -130.7 53.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 110.036 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.748 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.6 mt -86.84 123.08 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.748 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.0 p90 163.62 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.61 ' CD2' ' HG2' ' A' ' 12' ' ' GLU . 10.4 t-160 -112.92 135.25 53.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.61 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -41.37 -92.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -95.75 124.8 39.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.531 ' OE1' ' HB3' ' A' ' 25' ' ' ASN . 14.5 tp60 -135.43 136.95 41.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.1 mt-10 -143.31 119.4 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.566 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 142.24 -121.23 1.75 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.9 OUTLIER 90.35 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.492 HD13 ' N ' ' A' ' 19' ' ' CYS . 3.0 pp -173.68 -55.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 21' ' ' GLN . 29.6 p -115.74 175.16 5.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.28 -23.69 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -45.79 -38.48 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -60.24 -43.89 95.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.8 m -64.48 -33.17 75.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.739 ' CD1' HG13 ' A' ' 85' ' ' ILE . 5.1 mt -62.24 -46.49 88.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB3' ' OE1' ' A' ' 14' ' ' GLN . 7.2 m120 -61.98 -42.34 99.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 129' ' ' ARG . 1.2 t30 -74.96 -35.03 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 23' ' ' CYS . 2.2 tp -75.13 -48.32 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 97.7 mt -73.51 -20.13 60.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 77.62 17.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -151.04 124.72 1.75 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 8.4 pt-20 -84.07 55.49 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -108.16 52.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -156.92 152.7 27.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.9 OUTLIER -132.21 -179.3 1.02 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.614 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.25 -41.39 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.03 -40.77 98.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.2 tp -64.61 -42.49 95.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -58.88 -45.77 89.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -29.99 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.588 HG23 ' N ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -69.88 -44.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.588 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.0 m170 -64.11 -44.94 90.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 mt-30 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -59.62 -44.47 93.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -60.48 -43.91 96.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.2 mt-10 -73.22 -47.48 43.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -68.88 -51.1 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.7 tm-20 -59.74 -39.09 83.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 30.3 ttt180 -62.93 -48.74 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.0 ptm -72.56 -45.88 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -57.73 -48.77 78.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.633 ' SD ' ' CE2' ' A' ' 63' ' ' TYR . 7.7 ptm -72.63 -39.84 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.94 -48.29 71.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.6 mm-40 -80.65 -55.15 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.25 -21.89 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 93.78 56.87 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.605 ' O ' ' CG2' ' A' ' 59' ' ' THR . 7.1 p -54.57 -17.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 8.3 t 51.34 15.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.443 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.1 t 75.37 -43.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 59' ' ' THR . 7.9 mt-10 -53.39 -46.45 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.55 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.81 -33.19 75.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.666 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.31 -54.15 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -67.35 -32.03 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -50.57 73.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.719 ' CD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.74 -31.78 41.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.719 HD21 ' CD1' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -41.02 -28.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' PHE . 12.8 mm-40 -50.1 -20.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.602 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -74.94 159.49 82.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 -149.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 88.15 12.61 65.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.54 -72.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.605 ' HE3' ' CE1' ' A' ' 80' ' ' PHE . 18.2 ptm 172.77 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.6 t0 -85.77 -175.83 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -83.27 -55.42 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.94 80.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.1 -33.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -141.9 145.01 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.686 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 90.7 m-85 -119.16 157.38 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.7 p -67.24 140.05 57.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.735 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -55.95 -26.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.617 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -61.23 -24.84 66.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 81' ' ' SER . 5.6 m -60.96 -35.42 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.739 HG13 ' CD1' ' A' ' 24' ' ' LEU . 1.4 mp -65.57 -43.98 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 t -59.38 -44.98 92.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.633 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -61.04 -43.01 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.586 ' HA ' HG21 ' A' ' 91' ' ' VAL . . . -72.43 -36.05 68.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.683 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -68.25 -50.01 56.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.3 -42.23 81.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.586 HG21 ' HA ' ' A' ' 88' ' ' ALA . 10.4 m -75.75 -21.22 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.585 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 1.9 m95 -81.84 -20.57 38.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.975 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.31 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.683 ' O ' ' C ' ' A' ' 89' ' ' LEU . 1.2 pt? -90.35 166.19 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.1 pt-20 -127.07 155.33 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 tp -124.76 138.84 54.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 169' ' ' VAL . 1.3 pp -142.84 159.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.13 131.42 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 19.8 t80 -83.12 -45.66 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.77 HD22 ' N ' ' A' ' 166' ' ' SER . 61.8 m-20 -30.67 -42.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.577 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 5.5 t -28.31 108.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.05 21.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 4.7 mt-10 -66.11 -47.91 72.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.707 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.7 m-85 -70.09 -47.6 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.72 -46.28 77.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -65.28 -40.65 94.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.04 -25.09 67.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.6 ptt180 130.78 60.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.707 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -127.1 118.18 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 3.1 m-20 -107.24 152.39 41.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -75.0 -36.29 2.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.624 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.72 -28.94 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.9 m-20 -52.08 -20.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.567 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.1 mm-40 -92.58 171.54 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -126.33 2.47 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.438 ' O ' HG21 ' A' ' 170' ' ' VAL . 9.4 t -153.12 96.62 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.663 ' CE1' ' CG2' ' A' ' 169' ' ' VAL . 0.4 OUTLIER -115.51 158.98 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.498 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 4.2 mt -130.01 139.26 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 5.7 m -115.45 147.53 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.54 118.01 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -111.71 135.02 52.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.592 ' HB2' ' CE1' ' A' ' 121' ' ' TYR . 17.1 mtmt 33.64 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tp10 -109.34 -59.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -68.08 146.59 53.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.4 p-90 -128.64 164.17 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.583 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 11.0 m-85 -129.39 162.58 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 125.85 54.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 117' ' ' PHE . 17.1 t -105.32 122.45 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.454 ' NH2' ' SG ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -120.62 153.87 36.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 126.59 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.617 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 7.9 mt -118.61 121.99 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.39 -98.57 0.59 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -136.88 17.31 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.427 ' OE1' ' OD1' ' A' ' 150' ' ' ASP . 8.3 mm100 -133.62 160.14 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.624 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 2.1 m95 -89.53 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.617 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 5.7 m-85 -135.17 142.12 46.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.492 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -84.83 135.22 34.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.69 117.98 24.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 141' ' ' LEU . 1.5 p30 177.58 -172.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.3 t -108.44 32.12 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.959 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 2.0 tp -103.19 -42.46 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.535 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -102.23 -7.49 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.516 ' N ' HD22 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 45.62 23.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.421 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.467 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -161.06 146.16 11.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.02 3.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -47.48 108.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -60.0 123.72 17.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.492 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 70.3 mt -104.67 124.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.98 147.0 54.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.427 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 2.6 m-20 -56.35 -32.55 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.68 -14.48 51.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.559 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -95.42 -46.56 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.88 -48.35 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.31 -41.14 90.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.624 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -64.64 -35.6 81.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.593 ' CD2' HD23 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -65.02 -51.64 60.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 153' ' ' LEU . 6.8 mt -60.54 -34.65 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.07 94.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.624 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.69 -48.64 80.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.7 OUTLIER -67.92 -35.14 77.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.54 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -64.66 -46.42 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -70.94 -27.64 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -73.59 -31.98 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.701 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -173.85 -97.49 0.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.18 119.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.987 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.77 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.1 OUTLIER -177.36 67.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.497 HD13 ' CG ' ' A' ' 160' ' ' LEU . 2.2 mt -134.73 141.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.735 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.5 m-85 -122.38 136.3 54.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.663 ' CG2' ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -103.7 123.73 57.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.516 ' CG1' HD12 ' A' ' 94' ' ' LEU . 3.0 t -87.9 112.93 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.418 ' HD3' ' CG1' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -121.2 135.19 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.92 -154.84 23.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.405 ' O ' HD21 ' A' ' 94' ' ' LEU . 69.6 m-20 -88.06 119.76 28.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -106.08 130.96 22.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.98 152.47 40.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.61 152.49 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.454 ' SG ' ' NH2' ' A' ' 129' ' ' ARG . 23.3 p -133.07 -173.02 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.73 -38.39 64.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.5 ' CB ' HD23 ' A' ' 131' ' ' LEU . . . -55.65 -34.73 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.457 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 0.7 OUTLIER -58.16 -36.28 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -80.5 -31.64 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 92.1 mt -60.27 -41.93 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -57.01 -47.4 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 183' ' ' LEU . 3.9 mt-30 161.18 135.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 7.6 ttm 177.01 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 1.4 pt -48.98 165.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER 63.94 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 187' ' ' ARG . 3.2 p 40.53 73.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -172.79 -48.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 182' ' ' LEU . 18.4 Cg_endo -74.94 -164.24 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mt -96.83 -62.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' A' ' 7' ' ' GLU . . . -133.72 107.27 0.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' HB2' ' HB3' ' A' ' 182' ' ' LEU . 99.5 p -73.22 -42.85 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 2.6 ttt -69.79 -1.55 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CG ' ' HA3' ' A' ' 4' ' ' GLY . 45.5 mm-40 -75.87 -30.24 58.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 182' ' ' LEU . 0.2 OUTLIER -131.16 47.7 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.702 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.8 mt -93.89 123.38 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.702 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 167.08 -143.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 3.1 t60 -110.89 135.47 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -52.98 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 12' ' ' GLU . 8.2 mtmm -47.19 -100.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.633 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -113.62 156.76 23.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 2.8 pm0 -121.51 -34.5 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . 37.03 -156.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.81 125.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.67 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 1.4 pp -174.47 -61.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.67 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 30.4 p -116.58 173.87 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.775 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -58.71 -24.98 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.4 tm0? -47.34 -45.41 24.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 51.7 m-70 -53.98 -41.28 67.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -68.39 -39.36 81.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' HD21 ' A' ' 89' ' ' LEU . 8.6 tp -67.31 -41.18 85.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -59.32 -46.52 88.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.0 m-20 -69.97 -27.56 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -46.55 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.657 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 35.8 mt -81.92 -11.23 59.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.619 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 69.62 -56.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.717 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.57 122.85 23.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.8 tt0 -83.26 81.57 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.717 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 -129.73 46.78 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -159.56 154.95 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -132.43 -178.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.641 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' O ' ' OG ' ' A' ' 39' ' ' SER . 56.4 t -56.34 -35.59 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 36.7 mt-10 -57.95 -41.91 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 80' ' ' PHE . 7.3 mt -63.01 -35.64 80.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 25.2 p -64.92 -45.71 84.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -33.24 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.85 -51.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.495 ' CB ' HG11 ' A' ' 84' ' ' VAL . . . -55.88 -47.22 77.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 39' ' ' SER . 17.2 m170 -59.46 -48.08 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.664 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.35 -34.13 67.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.774 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 -47.96 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -44.5 96.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.32 -47.9 31.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -63.1 -45.9 89.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CD ' ' CE2' ' A' ' 66' ' ' PHE . 29.4 tt0 -65.11 -45.74 83.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.05 -48.21 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.569 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 25.9 ptm -72.39 -39.77 67.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.01 -51.39 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.675 ' HE3' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -72.83 -50.49 23.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.81 78.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -71.73 -58.17 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.15 -16.63 1.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 105.75 -33.84 6.21 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.706 ' O ' ' N ' ' A' ' 60' ' ' SER . 7.4 p 48.43 14.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER 33.67 23.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.706 ' N ' ' O ' ' A' ' 58' ' ' VAL . 1.4 t 63.47 -53.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 59' ' ' THR . 5.7 mm-40 -53.27 -47.72 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.609 ' CB ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -56.9 -33.23 66.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.588 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -62.35 -53.18 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.2 -27.01 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -50.78 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.675 ' CD1' ' HE3' ' A' ' 53' ' ' MET . 0.5 OUTLIER -79.6 -42.57 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 10.8 mt -37.34 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' PHE . 18.3 mm-40 -50.03 -21.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.3 mt-30 -72.7 162.43 74.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.2 Cg_endo -75.0 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -151.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 85.83 15.2 65.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 74' ' ' MET . 5.3 m-20 65.29 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 25.7 ptm 173.11 174.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 9.6 m-20 -110.65 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -146.17 27.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 t -107.98 8.59 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.16 41.73 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -159.46 137.03 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 111.014 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 62.5 m-85 -118.38 159.16 23.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.576 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.33 144.86 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -65.91 -26.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.655 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 1.5 mt-30 -60.84 -26.07 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 81' ' ' SER . 5.7 m -61.12 -42.08 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.521 HD11 ' CG2' ' A' ' 84' ' ' VAL . 1.1 mp -65.93 -42.47 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 34.9 t -56.55 -45.42 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.662 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 m-80 -65.55 -36.95 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.61 ' O ' HG21 ' A' ' 91' ' ' VAL . . . -72.64 -35.41 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 94' ' ' LEU . 1.8 mt -67.52 -50.5 58.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -56.99 -46.48 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.61 HG21 ' O ' ' A' ' 88' ' ' ALA . 17.5 m -71.56 -21.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.657 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.97 -20.99 37.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.83 -40.01 1.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.665 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -90.8 168.73 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 171' ' ' LYS . 1.7 pt-20 -123.0 154.3 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.75 125.95 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.5 pp -137.1 158.65 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.358 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.668 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.94 124.12 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' A' ' 167' ' ' ILE . 1.2 t80 -73.0 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.688 ' O ' ' C ' ' A' ' 101' ' ' SER . 33.3 m-20 -32.37 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.3 OUTLIER 6.57 105.55 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.942 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.51 21.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.762 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 11.8 tt0 -72.57 -46.4 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 109' ' ' ILE . 4.0 m-85 -69.94 -46.14 65.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 101' ' ' SER . 77.5 mm-40 -53.88 -47.13 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -35.13 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.748 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -63.48 -25.3 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.748 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.0 mtt-85 130.94 55.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.564 ' CD1' ' O ' ' A' ' 104' ' ' TYR . 1.3 mp -126.83 121.93 59.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -106.46 154.71 39.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -75.04 -43.63 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.438 HG22 ' CE2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -73.62 -24.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.559 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -64.05 -13.8 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.489 ' CG ' HG22 ' A' ' 169' ' ' VAL . 6.8 tp10 -87.27 126.43 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 3.8 tmt_? -66.43 -34.63 78.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.14 113.2 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.691 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.76 152.19 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 1.6 mt -125.7 144.6 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.59 145.63 50.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.8 t-20 -129.6 124.87 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.654 ' CE1' ' HE3' ' A' ' 122' ' ' LYS . 11.2 t80 -113.69 115.57 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.654 ' HE3' ' CE1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 52.27 -89.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.6 tt0 -109.08 -61.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' ' OD1' ' A' ' 139' ' ' ASN . 17.5 t-160 -68.07 142.54 55.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.775 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.1 p-90 -128.32 164.37 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.599 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 1.4 m-85 -129.11 162.58 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.93 133.2 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.691 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 25.1 t -115.75 126.72 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.48 146.95 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 101.46 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.715 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -94.05 122.45 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.504 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.74 -92.74 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.38 20.19 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.531 ' CB ' HD22 ' A' ' 147' ' ' LEU . 14.1 mm-40 -141.08 160.8 39.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -88.71 133.27 34.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.715 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 2.3 m-85 -129.46 134.28 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' O ' ' HG ' ' A' ' 142' ' ' LEU . 0.1 OUTLIER -94.0 129.27 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.3 mt -139.02 146.47 40.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.656 ' O ' ' CB ' ' A' ' 140' ' ' SER . 15.1 t-20 173.99 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.6 m 145.63 1.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.599 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -89.91 -33.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.509 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -95.04 -6.31 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.19 24.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 174.3 158.03 17.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.2 6.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 133.93 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -79.59 123.45 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 66.9 mt -104.8 139.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 154.19 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.594 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -56.07 -39.23 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 4.1 t -83.53 -2.7 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.578 ' O ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 148' ' ' ILE . 1.4 tm? -53.87 -48.09 70.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.38 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.638 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.95 -36.55 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -64.37 -51.78 61.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.627 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.86 -34.68 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 162' ' ' GLN . . . -64.87 -42.97 94.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.638 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.56 -48.61 81.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -67.73 -34.29 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.2 mt-30 -66.31 -46.39 77.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 158' ' ' ALA . 50.0 mm-40 -70.78 -27.84 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.23 -33.5 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.702 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.3 -96.62 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.702 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.71 122.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.517 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 175.73 72.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.947 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 99' ' ' PHE . 15.4 mt -134.66 127.05 48.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.712 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.1 m-85 -114.14 128.0 56.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -98.67 126.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 94' ' ' LEU . 5.5 t -87.53 111.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.474 ' HD3' ' CG1' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -120.93 137.6 54.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 137.95 -153.77 22.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.3 m-20 -90.71 120.14 31.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.438 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 1.5 tm? -103.27 127.65 29.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 148.81 35.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.75 159.86 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 20.1 p -144.57 169.05 18.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.2 mm-40 -54.17 -42.63 69.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.5 ' CB ' ' CD2' ' A' ' 131' ' ' LEU . . . -56.41 -36.92 69.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.03 -38.7 76.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 184' ' ' GLN . 1.8 mt-30 -77.36 -29.73 53.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 8' ' ' SER . 95.5 mt -64.98 -35.92 82.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.549 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -56.54 -46.58 80.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' A' ' 186' ' ' ILE . 37.7 mt-30 -164.66 -114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 1.4 ttt 56.95 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 184' ' ' GLN . 0.1 OUTLIER 42.06 -161.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.74 154.03 4.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 17.9 m -76.96 64.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -159.8 -55.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.92 -59.46 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . -154.84 124.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -61.08 -42.75 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.592 ' HE1' ' CZ ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -51.8 -17.68 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 48.4 mt-10 -53.13 -31.73 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.83 54.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.944 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.661 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 4.8 mt -91.14 124.09 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 154.05 -168.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.573 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -112.78 135.63 53.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.632 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -62.96 -137.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 25.5 mmtt 49.68 -133.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' OE1' ' CG ' ' A' ' 31' ' ' GLU . 2.4 pm0 -89.68 159.49 17.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -110.65 -74.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 37.45 -153.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.633 ' N ' ' CE1' ' A' ' 22' ' ' HIS . 1.4 p 157.66 101.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD11 ' SG ' ' A' ' 19' ' ' CYS . 4.3 pp -125.82 -64.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' ' 18' ' ' LEU . 78.2 m -115.99 173.74 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.725 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.04 -24.33 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.73 -45.29 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' CE1' ' N ' ' A' ' 17' ' ' SER . 14.7 m-70 -54.1 -48.17 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.543 ' SG ' ' ND2' ' A' ' 139' ' ' ASN . 4.4 m -64.38 -32.59 74.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 ' CD1' HG21 ' A' ' 85' ' ' ILE . 23.3 tp -66.76 -44.41 81.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 15.2 m-20 -60.53 -42.27 96.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 3.6 m-80 -74.9 -31.09 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -42.92 61.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.604 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -72.02 -3.07 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 82.63 -6.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -166.29 160.08 33.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.541 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -75.13 -104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 69.07 12.6 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 145.24 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.499 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.27 173.07 3.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.602 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.81 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.43 -35.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -61.4 -46.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD12 ' CD2' ' A' ' 80' ' ' PHE . 5.5 mt -57.0 -45.38 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.463 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -59.48 -45.69 90.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.12 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.608 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -70.04 -47.06 70.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.592 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -56.31 -47.51 78.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 12.2 m170 -68.61 -42.88 77.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' CD2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -65.74 -42.64 90.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -45.29 94.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -74.27 -44.14 54.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 31.8 tt0 -67.57 -45.81 74.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 66.6 mm-40 -62.28 -44.93 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 45.5 ttt180 -58.47 -48.91 79.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.517 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 26.8 ptm -72.96 -44.98 60.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -58.91 -48.3 81.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.2 ptm -72.53 -40.94 66.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -61.72 -48.56 80.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -83.33 -33.63 25.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -63.91 -10.21 37.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 85.44 48.6 4.71 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG21 ' CD2' ' A' ' 63' ' ' TYR . 2.7 p -43.3 -25.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.601 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 13.0 t 53.46 14.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.7 t 77.87 -43.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 59' ' ' THR . 41.8 mm-40 -53.29 -47.62 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.555 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -65.44 -32.9 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.698 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.98 -53.17 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -65.45 -27.39 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -49.7 49.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.44 -43.57 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.0 mt -37.39 -31.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.478 ' N ' ' C ' ' A' ' 66' ' ' PHE . 14.7 mm-40 -49.29 -23.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -69.19 166.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.01 129.69 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -157.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.07 10.66 74.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 81.9 m-20 64.78 -68.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.8 ptm 175.45 175.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 32.7 t0 -110.81 173.83 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -140.59 16.96 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 t -100.38 -1.19 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 125.1 48.48 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.83 121.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 26.4 m-85 -99.45 159.88 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.576 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.69 139.39 57.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.725 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.55 -26.68 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.48 ' HB3' HD23 ' A' ' 45' ' ' LEU . 3.9 mp0 -60.46 -28.13 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.608 ' HB ' ' CG2' ' A' ' 41' ' ' ILE . 4.9 m -61.45 -35.34 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.588 HG13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mm -65.73 -46.79 88.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 40.0 t -55.78 -45.66 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.595 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 3.0 m-80 -62.86 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.526 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . . . -73.65 -35.35 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -67.81 -50.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.1 -46.6 82.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 88' ' ' ALA . 18.5 m -71.21 -22.39 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.2 m95 -80.48 -21.38 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.69 -37.53 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.653 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -90.83 166.52 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' LYS . 9.9 pm0 -122.02 152.35 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.527 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 64.4 tp -124.89 136.23 53.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 169' ' ' VAL . 2.6 pp -146.37 158.22 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -65.36 133.7 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 11.5 t80 -82.81 -42.92 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.692 ' O ' ' C ' ' A' ' 101' ' ' SER . 2.7 m-20 -29.1 -60.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -4.74 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.86 19.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.5 tt0 -70.07 -46.91 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.697 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.0 m-30 -66.91 -46.15 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -55.45 -46.84 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -39.42 93.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -65.53 -24.91 67.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptt85 130.68 61.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.697 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.94 118.52 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.71 154.07 40.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.2 Cg_endo -75.01 -39.01 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -18.9 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.0 m-20 -64.83 -10.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.491 ' CG ' HG22 ' A' ' 169' ' ' VAL . 13.6 tp10 -89.67 155.08 19.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -100.96 -3.62 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -173.31 108.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.645 ' CE2' ' CG2' ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.38 158.36 21.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.0 mt -123.03 144.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -125.11 140.46 52.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 108.313 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -130.08 126.89 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -113.97 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.93 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -108.76 -74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -59.28 140.17 56.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.725 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.0 p-90 -128.69 164.65 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.562 ' HA ' ' ND2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -128.5 162.71 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.63 131.82 56.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.645 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 13.8 t -117.57 121.23 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.13 153.38 46.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.551 ' HE3' ' CD1' ' A' ' 135' ' ' TRP . 6.7 mtpt -79.04 103.46 9.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.596 ' HB3' ' CG ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -89.11 122.41 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 68.85 -79.2 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 23.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 21.2 mm100 -141.06 158.79 43.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -80.97 115.92 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.596 ' CG ' ' HB3' ' A' ' 131' ' ' LEU . 3.2 m-85 -118.27 138.24 52.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.48 146.81 26.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.6 123.91 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER 167.44 -174.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.8 t -93.73 11.6 28.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 126' ' ' PHE . 1.4 tp -88.89 -41.62 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.473 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.26 -10.67 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.464 ' N ' HD23 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 50.07 19.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 177.46 170.14 39.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.3 134.97 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 136' ' ' PHE . 9.5 tp -87.07 125.49 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.44 ' O ' ' CE3' ' A' ' 135' ' ' TRP . 15.5 mt -104.6 140.38 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.42 151.04 26.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.65 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -55.0 -39.14 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 8.5 t -83.62 -16.5 45.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.48 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -85.61 -47.79 9.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.487 HD21 ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -54.22 -48.11 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.619 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -62.63 -40.77 98.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -61.16 -52.22 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.88 ' O ' ' CD1' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.04 -32.6 71.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.79 78.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.619 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -68.55 -50.48 51.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.88 ' CD1' ' O ' ' A' ' 157' ' ' LEU . 0.0 OUTLIER -66.63 -32.29 73.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.582 ' N ' HD12 ' A' ' 160' ' ' LEU . 2.7 mt-30 -64.02 -46.59 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -29.43 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.9 mm-40 -71.08 -41.77 70.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.604 ' O ' ' CG ' ' A' ' 165' ' ' TYR . . . -168.08 -96.08 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.604 ' CG ' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 158.17 127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.641 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.54 58.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.588 ' CD1' HD13 ' A' ' 160' ' ' LEU . 1.6 mt -119.93 127.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.725 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 1.2 m-85 -119.47 113.26 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -84.67 132.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 94' ' ' LEU . 4.2 t -89.87 111.54 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.9 134.02 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 133.2 -151.54 20.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.513 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 8.9 t70 -90.98 119.05 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.53 ' CD1' ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -97.75 132.23 25.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 135.93 19.63 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 4.8 m-20 -82.74 152.1 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -137.02 -165.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.6 mm-40 -52.97 -37.78 61.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.82 71.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.443 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 24.4 t0 -58.26 -34.72 70.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.473 ' HG2' ' CG ' ' A' ' 185' ' ' MET . 6.7 tm0? -74.12 -37.05 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 178' ' ' GLU . 13.2 mt -66.8 -29.06 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.77 -41.31 77.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 186' ' ' ILE . 15.0 mm100 -151.53 -110.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.473 ' CG ' ' HG2' ' A' ' 181' ' ' GLN . 0.0 OUTLIER 65.43 -66.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 184' ' ' GLN . 2.2 mm 58.42 162.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.38 -57.27 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 188' ' ' VAL . 3.9 p -41.95 114.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -166.99 -52.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.69 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mt -86.73 -46.03 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.44 96.91 0.12 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.7 p -67.33 -44.87 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.509 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 8.7 mtt -52.83 -16.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.86 -33.36 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.51 54.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 3.2 mt -89.47 123.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.1 m-30 154.14 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CE1' ' HA2' ' A' ' 30' ' ' GLY . 7.7 t-80 -112.83 135.8 53.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -56.67 -120.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' GLU . 50.8 mmtt 35.05 -120.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -117.25 159.48 22.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.1 mp0 -130.73 171.6 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' ' CD2' ' A' ' 22' ' ' HIS . . . 36.58 54.62 1.35 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.556 ' CB ' ' HB2' ' A' ' 22' ' ' HIS . 4.6 t -52.18 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' HB3' ' O ' ' A' ' 17' ' ' SER . 3.2 pp -179.48 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' SG ' ' CB ' ' A' ' 21' ' ' GLN . 27.3 p -109.11 175.37 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.726 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -49.9 -24.89 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 37.0 tp60 -47.02 -23.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 5.4 t-80 -68.62 -49.74 56.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' OD1' ' A' ' 26' ' ' ASN . 4.5 m -63.32 -35.38 80.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 ' CD2' HG13 ' A' ' 85' ' ' ILE . 32.1 tp -67.22 -35.31 79.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 21' ' ' GLN . 26.5 m120 -66.42 -45.36 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.492 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -72.52 -35.91 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.68 -47.47 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.59 -7.74 46.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 76.95 -1.99 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -160.64 137.71 5.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -58.92 -106.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER 66.81 40.47 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CB ' HE21 ' A' ' 21' ' ' GLN . 0.2 OUTLIER -159.65 154.79 25.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -124.57 171.93 6.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.63 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -55.68 -36.05 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -60.64 -44.88 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.8 mt -57.42 -44.34 84.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -59.62 -45.64 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -39.63 77.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.98 -50.51 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . . . -56.19 -45.49 79.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 17.3 m170 -68.08 -42.11 80.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 67.8 mt-30 -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -69.95 -43.02 72.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.31 -45.82 92.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.5 mm-40 -74.36 -47.1 36.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.552 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 4.9 mm-40 -68.31 -51.88 39.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.48 -41.66 90.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.4 ttt180 -68.49 -46.23 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 13.9 mtm -71.84 -51.67 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.9 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 16.6 ptm -71.05 -48.71 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 53' ' ' MET . . . -60.03 -36.85 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.7 mm-40 -65.75 -50.07 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.8 -6.42 11.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 92.96 -12.8 69.18 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.643 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.9 m 48.74 8.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 35.74 24.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 66.99 -54.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' THR . 13.3 mt-10 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' CG ' ' CG2' ' A' ' 59' ' ' THR . 35.7 m-20 -56.13 -35.15 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CD2' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -70.04 -52.93 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.9 mtp180 -67.07 -27.34 67.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -70.38 -50.55 37.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -79.03 -42.94 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 63' ' ' TYR . 10.7 mt -38.28 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' PHE . 36.1 mm-40 -51.7 -24.2 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -65.64 164.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.95 130.82 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -82.7 -152.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 79.52 1.91 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.8 m120 67.98 -67.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.355 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' ' 80' ' ' PHE . 22.8 ptm 176.71 172.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 7.2 t70 -110.69 176.03 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -140.87 19.68 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -100.26 12.68 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.94 22.99 5.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -141.95 132.54 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 61.6 m-85 -115.57 160.41 20.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.586 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 37.4 t -66.17 139.91 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.738 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -61.7 -26.21 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.453 ' N ' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -60.87 -25.89 67.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 81' ' ' SER . 9.7 m -61.66 -37.91 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.568 HG13 ' CD2' ' A' ' 24' ' ' LEU . 1.1 mp -66.76 -37.5 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.489 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 23.1 t -62.61 -45.01 94.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.66 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.7 m-80 -63.41 -40.38 97.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.568 ' HA ' HG23 ' A' ' 91' ' ' VAL . . . -69.69 -35.0 74.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.747 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.98 -49.98 58.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.14 -41.6 79.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.568 HG23 ' HA ' ' A' ' 88' ' ' ALA . 13.3 m -76.35 -21.24 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.716 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.6 m95 -82.78 -20.8 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.63 -46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 171.32 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' LYS . 2.8 pt-20 -128.95 156.37 43.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 7.4 tp -124.97 141.89 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.8 pp -147.14 158.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -64.96 135.45 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 167' ' ' ILE . 8.4 t80 -87.25 -43.23 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.644 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.7 OUTLIER -33.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.54 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.9 t -29.56 116.29 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.21 18.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 tp10 -75.46 -45.97 35.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.2 m-85 -63.76 -46.33 85.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.2 mt-30 -55.4 -46.99 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -65.26 -35.7 81.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -69.26 -24.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 48.3 mtp180 131.6 61.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.88 118.33 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 4.4 m-20 -107.23 153.98 40.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.665 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -75.03 -32.65 5.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.713 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -81.88 -26.72 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.5 t-20 -1.52 83.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 113' ' ' ASN . 51.2 tt0 -33.1 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' CZ ' ' O ' ' A' ' 170' ' ' VAL . 0.6 OUTLIER 176.66 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 128' ' ' VAL . 15.2 t -169.75 141.79 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.665 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.6 OUTLIER -133.59 158.56 42.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.486 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 2.2 mt -126.32 140.32 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t -125.71 143.36 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.529 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -129.78 117.72 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -114.15 107.99 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 36.5 88.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 72.48 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.1 131.38 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.726 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 37.7 p-90 -129.5 165.17 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.604 ' CG ' HD22 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -128.86 160.68 31.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.52 121.36 44.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 117' ' ' PHE . 6.7 t -110.67 130.29 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.78 157.02 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -80.64 107.89 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.661 ' HB3' ' CG ' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -92.58 122.32 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.79 -80.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -152.0 24.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.493 ' CG ' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -140.7 158.82 43.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CD1' HG23 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -84.69 115.55 22.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.661 ' CG ' ' HB3' ' A' ' 131' ' ' LEU . 3.7 m-85 -116.29 142.8 46.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.514 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -95.48 146.85 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -140.67 125.89 18.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 140' ' ' SER . 3.4 t30 -179.23 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.8 m 158.3 -22.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.604 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -70.66 -17.92 62.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.46 ' H ' ' CD2' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.56 -1.93 56.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.44 23.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 142' ' ' LEU . . . 152.44 178.46 27.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.33 5.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 115.86 8.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.594 ' HB2' ' CE1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -66.62 128.17 35.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.514 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 9.2 mt -108.55 113.61 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.52 142.64 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -55.11 -28.42 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.6 t -83.58 -24.96 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.477 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -86.99 -44.43 11.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 153' ' ' LEU . 0.2 OUTLIER -54.06 -47.73 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.92 -46.05 79.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.88 -35.58 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -64.56 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.1 OUTLIER -62.09 -34.72 76.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.54 92.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.599 ' CG ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.94 -49.24 78.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -61.16 -43.08 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -31.22 68.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.4 mm-40 -67.58 -38.28 83.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.721 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.74 -91.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.721 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 156.89 113.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -175.55 73.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' PHE . 11.4 mt -135.13 132.12 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.738 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -120.9 147.46 45.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.529 ' O ' ' CZ ' ' A' ' 115' ' ' ARG . 2.8 t -86.39 125.65 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -126.3 140.82 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 123.36 -158.21 17.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.562 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 4.9 t0 -89.07 118.43 28.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 2.1 tm? -107.97 129.81 23.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -84.04 155.42 22.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.75 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.96 -36.69 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.53 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 17.0 t70 -58.49 -35.49 72.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 185' ' ' MET . 86.0 mt-30 -74.13 -37.12 64.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 9' ' ' ILE . 28.1 mt -63.91 -33.98 76.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.57 ' C ' ' CD1' ' A' ' 183' ' ' LEU . 0.2 OUTLIER -56.85 -48.35 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.402 ' N ' HD13 ' A' ' 183' ' ' LEU . 0.8 OUTLIER -110.56 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' GLN . 0.4 OUTLIER -42.65 120.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.61 -113.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.86 86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 54.8 t -42.28 -63.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -178.84 115.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.51 -61.39 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.36 106.33 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER -72.0 -48.04 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 7.6 mtt -53.34 -16.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.01 -22.73 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.85 51.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.691 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 9.7 mt -95.93 123.29 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.691 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.7 p90 168.06 -151.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.668 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 2.6 t60 -103.83 135.87 44.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.611 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.56 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.5 -86.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.56 ' O ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -40.12 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.668 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -105.49 159.42 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 16.8 tt0 -110.86 -40.26 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 37.82 -158.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 2.0 p 159.61 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 2.7 pp -91.16 -59.31 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.568 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 31.6 p -116.06 174.01 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.828 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.43 -26.17 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -48.2 -32.35 6.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -54.92 -50.04 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 27' ' ' LEU . 68.0 m -67.65 -39.65 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 13.8 tp -63.39 -39.5 94.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -63.22 -46.35 87.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 10' ' ' PHE . 49.0 t30 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -65.21 -47.5 76.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 21.7 mt -74.63 -22.63 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 9.0 tp60 64.94 118.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.646 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 103.96 136.58 8.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -85.31 107.09 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 9.2 m-85 -144.32 -22.61 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.55 154.1 18.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -132.39 178.9 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.689 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.69 -36.27 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 12.3 mt-10 -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.6 mt -57.56 -45.36 85.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.24 -45.97 89.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -33.91 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.99 -48.46 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' HG13 ' A' ' 84' ' ' VAL . . . -55.06 -47.87 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 39' ' ' SER . 5.1 m170 -64.7 -47.63 77.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.616 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 4.4 mt-30 -63.07 -33.16 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -66.51 -44.11 83.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 19.5 t0 -60.56 -47.2 87.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.616 ' CG ' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -74.35 -38.87 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 40.4 tt0 -72.39 -55.09 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -60.26 -37.14 79.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.8 ttm180 -64.76 -49.37 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.9 ptm -72.55 -42.02 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.2 ttt180 -62.25 -49.93 73.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.503 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.0 ptm -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.32 78.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.62 -32.6 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -64.9 -9.25 39.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 88.71 50.71 3.26 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.623 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 p -40.05 -28.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.623 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.0 t 53.09 13.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 t 78.65 -46.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.64 -47.42 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.43 -33.37 74.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.36 -53.3 30.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -65.52 -30.49 71.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -49.89 65.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.63 -42.16 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 13.6 mt -37.59 -30.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 17.3 mm-40 -50.51 -22.99 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -68.13 162.94 55.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.0 -160.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 70' ' ' PRO . 11.8 p -34.49 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA2' ' OG ' ' A' ' 81' ' ' SER . . . 98.34 37.95 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.771 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.2 OUTLIER -136.94 11.3 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.771 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER 54.13 149.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 38.0 t0 -111.18 162.94 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.49 32.5 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -114.9 4.84 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.68 36.46 2.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -152.11 137.53 17.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.983 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.755 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 84.7 m-85 -112.31 159.54 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.649 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 1.3 t -66.98 139.5 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.662 HG22 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -60.28 -27.53 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 6.8 mt-30 -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.649 ' CG2' ' O ' ' A' ' 81' ' ' SER . 10.5 m -60.84 -39.88 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mp -63.31 -45.13 99.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 13.1 t -55.81 -45.49 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 1.8 m-80 -62.01 -39.13 91.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.2 -39.09 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.636 ' C ' ' O ' ' A' ' 94' ' ' LEU . 3.3 mt -66.54 -47.51 72.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -57.01 -48.77 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 88' ' ' ALA . 3.4 m -71.05 -20.77 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.661 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 2.4 m95 -81.56 -20.75 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.34 -38.88 1.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.736 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -90.29 170.37 10.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -125.51 150.88 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -124.73 125.93 44.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.517 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -142.51 159.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.1 OUTLIER -64.34 136.52 57.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' OE1' ' A' ' 105' ' ' GLN . 7.8 t80 -88.78 -39.24 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.803 HD22 ' N ' ' A' ' 166' ' ' SER . 98.1 m-20 -29.17 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.63 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.3 OUTLIER -25.36 107.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.943 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.01 -14.97 20.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.4 tt0 -69.48 -47.19 64.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.669 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 5.1 m-85 -69.1 -46.65 67.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.23 -46.93 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 3.3 mtt-85 -64.8 -41.51 95.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.26 -24.75 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt180 129.65 63.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.669 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.89 119.6 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.638 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.88 154.92 39.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.611 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.95 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.657 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.61 -18.29 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.638 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -65.06 -13.66 58.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' HG3' ' CG2' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -91.64 -177.2 4.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -111.47 -49.06 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.581 ' O ' HG13 ' A' ' 170' ' ' VAL . 0.6 OUTLIER -124.58 118.71 27.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.667 ' CD1' HD13 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -114.06 145.53 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.633 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -120.71 141.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.0 t -127.5 142.94 51.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.322 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.2 OUTLIER -129.48 123.71 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.626 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.6 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 37.9 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.3 tt0 -106.51 113.13 26.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.2 t-160 95.52 140.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.646 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.828 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.1 p-90 -128.76 165.31 21.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.59 ' CD1' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.27 158.51 37.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.441 ' CG2' HD11 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -115.43 126.85 54.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.629 ' N ' ' O ' ' A' ' 117' ' ' PHE . 12.4 t -112.51 127.25 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 21.0 ptt-85 -128.98 146.63 50.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 20.9 pttp -70.95 120.99 17.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 9.3 tt -119.68 121.75 39.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.488 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 67.44 -108.07 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.27 14.62 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.43 154.57 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.657 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 9.3 m95 -76.94 137.2 38.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.6 m-85 -128.22 133.03 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.5 ' OD1' ' CD1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -91.49 150.94 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -148.06 134.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB2' ' HB3' ' A' ' 126' ' ' PHE . 31.1 t30 175.67 -69.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.0 t 161.21 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.59 HD21 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -70.38 -22.14 62.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.532 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -86.47 -2.62 58.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.32 23.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 142' ' ' LEU . . . 151.07 176.8 24.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.421 ' CB ' HD22 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -48.3 157.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.503 HD22 ' CE1' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -102.12 123.71 46.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.5 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 15.7 mt -114.62 119.73 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.33 148.28 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -34.77 63.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.81 -17.18 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.433 ' O ' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -86.89 -42.6 13.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.4 tm? -54.45 -48.36 71.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.518 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.64 -44.65 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.591 HD22 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -61.93 -36.46 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.547 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.69 -50.07 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 117' ' ' PHE . 4.3 mt -59.59 -34.74 73.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.39 87.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.591 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.73 -49.85 75.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.5 OUTLIER -63.37 -38.76 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.7 mt-30 -60.92 -40.46 93.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -70.97 -33.68 70.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 159' ' ' GLN . 0.3 OUTLIER -64.69 -42.26 95.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.71 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.71 -87.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.71 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 156.23 121.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.759 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.803 ' N ' HD22 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 179.65 72.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 118' ' ' ILE . 2.7 mt -135.5 128.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.662 ' CE2' HG22 ' A' ' 82' ' ' ILE . 2.3 m-85 -117.9 130.83 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.574 ' CG2' ' CE2' ' A' ' 117' ' ' PHE . 1.2 t -108.53 128.78 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.615 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -98.62 116.93 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.499 ' HB3' ' NH2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -114.43 143.82 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.37 -144.46 16.18 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.541 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 5.8 m-20 -96.66 118.8 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 1.6 tm? -102.87 126.3 33.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 162.16 37.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.405 ' HB3' ' CG ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -98.09 135.54 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 14.9 p -109.2 -177.29 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.87 -42.77 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.53 ' HB3' ' CD1' ' A' ' 131' ' ' LEU . . . -56.23 -38.21 70.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' HB3' ' A' ' 176' ' ' ASP . 1.0 OUTLIER -57.77 -34.56 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.7 OUTLIER -75.69 -40.75 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 5' ' ' SER . 8.2 mt -62.69 -27.08 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.488 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.46 -43.0 79.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.492 ' O ' ' O ' ' A' ' 185' ' ' MET . 4.0 mm-40 -147.1 -68.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.497 ' O ' ' O ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -40.36 167.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.48 -91.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER -71.85 -55.49 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 187' ' ' ARG . 12.2 p 34.27 55.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.38 110.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.18 -49.15 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.78 105.76 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 7' ' ' GLU . 54.0 p -59.01 -33.11 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.471 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -52.29 -11.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 5' ' ' SER . 14.5 pt-20 -53.08 -47.34 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.41 49.98 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.625 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt -86.19 123.78 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 159.46 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.554 ' CG ' ' HG2' ' A' ' 14' ' ' GLN . 3.0 t60 -91.37 135.75 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.91 -99.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' O ' ' NE2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -92.06 92.84 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.683 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -90.36 144.74 25.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.683 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -84.26 -38.69 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . 167.13 154.23 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 m -112.45 135.12 53.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.4 pp -163.1 -49.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.4 p -115.34 174.71 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.26 -24.97 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.499 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.2 tp60 -47.12 -32.49 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -57.09 -50.59 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.595 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -64.83 -39.25 93.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD21 ' NE2' ' A' ' 21' ' ' GLN . 7.4 tp -63.26 -42.44 99.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' C ' ' HD1' ' A' ' 11' ' ' HIS . 23.6 m120 -59.43 -45.64 90.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.43 -26.41 62.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.14 -47.21 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 58.0 mt -75.3 -1.46 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.75 -46.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.652 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -119.36 132.42 9.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.49 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 74.7 42.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.11 155.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.86 179.36 1.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -33.18 4.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.32 -46.23 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.2 mt-10 -60.99 -45.6 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.593 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.9 tp -57.03 -45.55 83.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -62.79 -37.8 88.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -75.1 -31.84 61.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.728 HG21 ' CG2' ' A' ' 84' ' ' VAL . 1.3 tt -71.71 -41.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -65.73 -47.46 75.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.2 m170 -60.88 -47.17 87.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.8 mt-30 -61.79 -34.05 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -64.4 -45.7 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -59.95 -44.7 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 51' ' ' MET . 49.9 mt-10 -73.73 -40.84 63.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 37.0 mt-10 -69.54 -55.55 9.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.28 -38.0 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.1 ttm180 -61.31 -49.81 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 23.4 ptp -73.3 -46.49 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' N ' ' HG3' ' A' ' 51' ' ' MET . 4.6 tpt180 -58.54 -47.9 82.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.609 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.9 ptm -72.19 -42.61 65.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.3 78.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' GLY . 1.2 mm-40 -80.54 -56.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -40.4 -23.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 103.42 58.0 0.74 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 53' ' ' MET . 2.3 p -43.61 -26.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.608 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 9.0 t 52.53 15.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 2.9 t 76.27 -51.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 65' ' ' THR . 15.5 mm-40 -53.51 -47.82 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.72 -33.47 70.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.585 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.32 -34.98 79.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -59.67 -50.68 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -79.27 -44.0 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 12.0 mt -35.55 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.1 mm-40 -47.77 -23.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -72.56 165.52 50.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.338 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.97 130.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -153.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 77.01 0.18 68.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 69.98 -60.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.606 ' HE2' ' CE2' ' A' ' 80' ' ' PHE . 24.7 ptm 177.18 -176.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.7 -176.32 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.67 23.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t -108.93 3.96 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.82 35.62 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -164.35 135.5 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.606 ' CE2' ' HE2' ' A' ' 74' ' ' MET . 61.5 m-85 -111.13 159.74 17.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 t -66.76 143.23 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.718 ' CG2' ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -57.45 -27.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.6 mt-30 -63.17 -24.61 67.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.728 ' CG2' HG21 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -60.48 -43.77 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 24' ' ' LEU . 1.2 mp -60.54 -40.99 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 22.9 t -59.51 -44.18 93.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.644 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -60.98 -40.85 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . . . -72.01 -34.65 69.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 94' ' ' LEU . 1.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.683 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -56.98 -44.65 82.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 88' ' ' ALA . 4.7 m -73.59 -21.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.77 -20.73 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.92 -39.59 1.84 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.683 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -90.41 169.09 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.1 pt-20 -124.83 152.87 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.76 125.14 43.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.554 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 1.5 pp -134.29 158.36 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -65.46 136.52 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t80 -85.99 -44.26 12.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.658 ' O ' ' C ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -26.79 -56.96 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.658 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -11.56 107.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.004 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HA ' ' HG3' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -75.0 -15.77 20.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.4 tt0 -66.73 -47.74 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 m-85 -69.87 -44.56 69.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.586 ' HA ' ' HB ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -55.56 -46.72 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -66.47 -40.94 89.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -62.42 -25.14 67.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 20.6 mtt180 130.14 62.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -126.88 120.71 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 154.75 39.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.598 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.01 -35.93 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.486 ' C ' ' OE1' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -81.85 -18.84 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.61 61.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.655 ' HG3' ' CD1' ' A' ' 117' ' ' PHE . 2.6 pm0 -162.22 -178.53 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.585 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -117.0 -14.86 10.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 11.4 t -167.53 121.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.41 158.65 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.576 ' CG2' ' CE3' ' A' ' 125' ' ' TRP . 1.2 mt -125.58 135.98 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.97 143.38 51.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.73 126.05 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.12 -90.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 16.6 tt0 -107.06 111.8 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.0 t-160 97.19 139.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.764 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 40.7 p-90 -128.81 165.06 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 141' ' ' LEU . 2.3 m-85 -129.02 161.35 30.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.4 ' HB ' ' SG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -113.43 126.65 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 117' ' ' PHE . 57.1 t -105.28 121.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 130' ' ' LYS . 55.8 ttt-85 -118.41 152.96 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -94.39 126.06 39.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.649 ' HB2' ' CE1' ' A' ' 136' ' ' PHE . 3.4 mm? -110.19 121.63 45.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.497 ' HA2' ' CG ' ' A' ' 183' ' ' LEU . . . 65.23 -84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 30.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.61 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 15.2 mm-40 -140.68 160.38 40.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.645 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -98.32 130.65 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 131' ' ' LEU . 4.2 m-85 -131.56 143.46 50.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.524 HD21 ' N ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -95.35 133.91 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.524 ' N ' HD21 ' A' ' 137' ' ' ASN . 0.4 OUTLIER -139.5 138.53 36.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 140' ' ' SER . 12.4 t-20 174.43 -46.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.8 m 144.9 -19.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.64 -29.48 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 143' ' ' THR . 0.0 OUTLIER -97.94 -9.25 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.517 ' N ' HD23 ' A' ' 142' ' ' LEU . 0.6 OUTLIER 45.67 23.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 176.1 154.79 11.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 65.06 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -54.23 144.54 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.547 HD22 ' CZ ' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -88.59 125.13 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.481 ' N ' HD21 ' A' ' 147' ' ' LEU . 31.2 mt -104.84 146.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.645 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -54.91 -37.66 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 6.0 t -83.52 -3.37 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.56 ' O ' HD11 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -104.23 -48.9 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.413 ' O ' HD21 ' A' ' 153' ' ' LEU . 1.4 tm? -54.0 -47.94 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.72 -44.44 81.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.598 HD23 ' CG ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -63.87 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -62.24 -52.07 65.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.59 -34.46 74.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.33 88.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.598 ' CG ' HD23 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -65.52 -48.52 72.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -65.28 -34.11 77.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 9.5 mt-30 -64.71 -46.82 80.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -71.16 -27.05 63.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.3 -32.44 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.95 -96.67 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 157.07 115.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -177.93 73.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . 0.6 ' O ' ' N ' ' A' ' 99' ' ' PHE . 10.1 mt -134.83 130.1 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.718 ' CE2' ' CG2' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -120.78 143.02 49.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.586 ' O ' HD22 ' A' ' 96' ' ' LEU . 10.8 p -112.26 128.89 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -86.88 110.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.88 138.33 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 131.62 -157.42 22.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 20.0 t0 -85.36 120.04 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 175' ' ' PRO . 1.7 tm? -110.97 125.57 30.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.462 ' O ' ' CD1' ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.04 159.34 41.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -97.12 153.18 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 p -124.84 -173.01 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 108.332 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 181' ' ' GLN . 1.2 mm-40 -53.31 -38.03 62.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.597 ' CB ' ' CD1' ' A' ' 131' ' ' LEU . . . -55.72 -33.54 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 31.9 t70 -58.28 -40.57 82.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.93 -36.56 64.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.453 ' CB ' ' HB2' ' A' ' 5' ' ' SER . 45.2 mt -64.75 -27.61 69.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.497 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 0.7 OUTLIER -56.87 -49.6 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 183' ' ' LEU . 1.7 mt-30 -173.32 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.454 ' O ' ' O ' ' A' ' 186' ' ' ILE . 0.0 OUTLIER -76.0 54.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.454 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.0 OUTLIER -54.05 -107.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 165.47 -169.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 2.8 p -139.37 59.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.56 110.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.5 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.581 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.9 -13.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 5' ' ' SER . 21.1 mm-40 -52.81 -33.72 50.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.598 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.07 58.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 8.1 mt -87.43 123.67 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 156.52 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 26' ' ' ASN . 11.0 t-160 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' A' ' 19' ' ' CYS . 4.0 pp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' A' ' 18' ' ' LEU . 29.4 m -115.02 174.55 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.736 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.4 -24.05 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.752 ' OE1' HD23 ' A' ' 24' ' ' LEU . 4.1 tp-100 -46.39 -22.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.485 ' CE1' HD21 ' A' ' 26' ' ' ASN . 31.0 t60 -69.95 -52.14 26.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.52 -36.5 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' OE1' ' A' ' 21' ' ' GLN . 33.1 tp -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 16.9 m120 -61.22 -42.98 99.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 38.5 m-20 -68.91 -40.54 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 24' ' ' LEU . 3.7 tp -63.44 -46.95 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.679 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.53 -9.06 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.94 -5.35 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.731 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.24 131.56 2.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -56.19 -108.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.731 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.2 m-85 75.04 13.53 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -128.89 147.54 50.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 2.3 m -111.99 167.33 9.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.621 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -32.73 5.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.11 -41.96 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.4 mt-10 -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 84' ' ' VAL . 1.4 mt -56.73 -45.12 82.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.595 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -64.32 -43.31 95.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -40.59 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -61.6 -44.33 98.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.06 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -62.46 -47.14 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.9 m170 -62.17 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 6.3 mm-40 -62.37 -34.53 76.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.37 -46.5 86.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.19 -44.43 95.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -72.05 -40.47 68.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 51' ' ' MET . 8.8 mt-10 -74.33 -53.68 9.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.3 ttp180 -70.17 -48.84 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.6 ptm -72.44 -45.85 57.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.32 -50.08 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.529 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 1.8 ptm -72.15 -42.77 65.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.3 -48.69 74.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -63.18 -60.61 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.17 -13.31 3.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 99.22 -20.61 49.33 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.8 p 49.65 7.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t 35.92 20.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 65.64 -50.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 1.8 mm-40 -53.43 -47.56 69.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 7.6 m-20 -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.72 -53.1 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -27.28 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -69.79 -49.61 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.521 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.27 -41.74 33.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.0 mt -40.14 -28.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.7 mm100 -53.14 -26.74 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.542 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.6 mt-30 -63.99 164.68 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.0 129.37 12.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -84.85 -151.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.97 2.17 84.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 74' ' ' MET . 8.2 m-20 62.8 -72.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLY . 22.9 ptm 177.55 165.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.0 t0 -110.32 -178.51 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.43 21.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -98.48 3.64 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.73 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -164.76 141.92 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 36.8 m-85 -119.5 158.64 25.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.36 139.47 57.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.027 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.108 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.34 -27.25 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.5 mp0 -61.75 -24.69 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.06 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.81 -39.03 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.836 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.3 -38.33 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 36.0 t -61.65 -45.33 94.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.711 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.83 -42.01 98.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -71.02 -34.63 71.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.89 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -65.58 -49.99 66.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -57.36 -47.71 80.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 87' ' ' ASN . 9.3 m -70.7 -19.96 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -83.74 -20.77 32.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.32 -42.1 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.89 HD11 HD13 ' A' ' 89' ' ' LEU . 1.4 pt? -90.23 170.48 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 171' ' ' LYS . 8.8 pt-20 -127.03 154.45 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.74 125.77 44.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.2 pp -136.22 159.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.759 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.23 141.64 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.512 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.6 t80 -93.31 -43.47 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.704 ' HB2' HD12 ' A' ' 98' ' ' LEU . 4.7 m120 -31.62 -45.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.604 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.6 t -21.65 106.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.48 20.73 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.7 mt-10 -70.67 -47.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.688 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -69.53 -47.01 65.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -54.91 -47.1 74.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -64.72 -41.69 95.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.767 ' O ' ' HG2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.41 -23.43 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 1.2 mmt-85 127.78 64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.688 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.04 117.82 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -107.5 153.93 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.703 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.03 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.567 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.09 -23.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 2.8 m-20 -57.45 -20.13 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.767 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -87.63 -174.12 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.966 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -120.38 -29.84 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.9 t -137.95 121.87 17.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.998 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -120.68 153.2 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 82' ' ' ILE . 1.3 mt -126.9 141.02 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.3 146.71 49.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 2.6 t-20 -130.01 125.89 36.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -110.78 108.28 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 53.95 -84.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -109.11 -68.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.349 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -63.68 144.86 56.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.592 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.836 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.7 p-90 -128.7 164.38 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -129.35 162.12 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.475 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -113.82 128.9 56.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 117' ' ' PHE . 18.9 t -109.21 127.41 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 21.8 ttp-105 -123.83 136.74 54.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -80.73 104.02 10.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -98.57 122.29 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.456 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.2 -97.83 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -136.06 16.38 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.455 ' NE2' ' OD1' ' A' ' 150' ' ' ASP . 32.0 mm-40 -137.34 160.36 39.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.567 ' NE1' HG22 ' A' ' 112' ' ' ILE . 89.1 m95 -89.44 144.14 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.702 ' HE1' HD12 ' A' ' 147' ' ' LEU . 2.4 m-85 -134.2 124.41 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.41 137.85 38.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.96 131.19 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' H ' HD21 ' A' ' 142' ' ' LEU . 26.9 t-20 176.68 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.6 p 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.559 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.4 -23.3 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.73 -2.34 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.82 25.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.52 -169.42 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HB2' ' CD2' ' A' ' 136' ' ' PHE . 18.2 Cg_endo -75.05 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.45 102.86 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.702 HD12 ' HE1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -62.2 125.28 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 153' ' ' LEU . 90.4 mt -118.4 119.93 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.44 154.18 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 134' ' ' GLN . 0.6 OUTLIER -58.73 -34.56 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.4 -9.76 58.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -96.89 -43.9 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 153' ' ' LEU . 1.1 tm? -54.37 -47.96 72.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.22 -39.44 94.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.856 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -64.5 -51.67 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.655 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -58.17 -34.51 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.5 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.468 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.33 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.01 -36.39 82.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.52 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 3.2 mt-30 -62.73 -46.54 87.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.85 -28.49 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -29.42 61.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.31 -98.81 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.706 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 106.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.962 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -167.72 70.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.1 mt -134.25 136.99 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.108 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -122.26 127.65 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.998 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -91.9 120.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.628 HG13 HD12 ' A' ' 89' ' ' LEU . 4.4 t -90.11 111.25 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.558 ' HE3' HD11 ' A' ' 97' ' ' ILE . 11.9 ptpt -117.41 144.81 44.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 130.99 -153.81 20.5 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.74 ' O ' HD22 ' A' ' 94' ' ' LEU . 3.8 m-20 -92.75 119.36 32.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.966 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 1.6 tm? -108.41 125.64 31.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.575 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.96 157.12 43.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -93.14 151.33 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.06 -165.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 3.8 mm-40 -53.02 -42.54 65.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -55.6 -39.27 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.9 t70 -58.36 -35.11 71.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 8' ' ' SER . 17.7 mt -61.77 -30.8 71.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.4 OUTLIER -57.01 -44.19 82.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.733 ' HB2' HD13 ' A' ' 183' ' ' LEU . 4.3 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 182' ' ' LEU . 26.3 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.834 ' HA ' HD12 ' A' ' 9' ' ' ILE . 1.8 ttt -53.72 -13.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -53.84 -35.19 61.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.705 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -151.67 59.3 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -92.69 124.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 160.63 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.62 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 10.1 t-160 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.899 HD23 ' NE2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.681 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.5 m -115.06 174.36 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.93 -25.88 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -47.3 -25.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -61.74 -50.21 73.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.498 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 2.2 m -68.26 -39.67 82.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 85' ' ' ILE . 23.0 tp -61.94 -45.89 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.631 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 15.4 m120 -59.42 -44.72 92.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.523 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.2 m120 -72.09 -28.14 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -47.42 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -72.18 -24.44 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 tp-100 68.0 112.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.658 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 102.11 102.46 2.64 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 101.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 6.3 m-30 -116.9 -45.01 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CE1' ' ND2' ' A' ' 25' ' ' ASN . 2.8 p90 -100.99 154.96 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.546 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -106.75 -178.76 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.828 ' HB3' HD21 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.86 -41.82 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 5.1 mt-10 -58.26 -38.99 78.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 21' ' ' GLN . 2.6 tp -59.56 -45.66 91.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -58.8 -46.32 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -33.65 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.0 -46.9 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.775 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.91 -47.91 76.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.6 m170 -61.79 -48.0 82.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.675 ' O ' ' N ' ' A' ' 48' ' ' GLU . 62.4 mt-30 -65.23 -33.79 76.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.42 -48.02 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -61.57 -45.13 95.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 mt-10 -74.0 -46.7 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.675 ' N ' ' O ' ' A' ' 44' ' ' GLN . 26.5 tt0 -68.43 -52.24 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.3 tp10 -59.53 -41.66 90.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.0 ttp180 -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.2 ptm -73.43 -42.63 61.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.8 tpp180 -59.42 -50.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 5.9 ptm -71.38 -42.11 68.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.32 -32.02 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.51 -7.54 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 86.67 51.96 3.29 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.33 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.6 t 52.72 14.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 58' ' ' VAL . 7.4 t 77.13 -49.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.3 -47.43 69.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 49.8 m-20 -61.85 -33.3 73.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.53 -53.64 44.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.594 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.2 mmm180 -67.09 -27.2 67.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -50.39 42.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.32 -44.52 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.5 mt -35.26 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mm100 -47.41 -22.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -76.32 164.45 59.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.02 132.23 15.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.6 p -102.59 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 90.08 12.32 62.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.2 m-20 64.76 -73.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.5 ptm 174.02 176.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -110.79 -176.72 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.51 13.74 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -87.99 -11.45 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 123.53 43.92 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -155.17 126.14 7.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.916 ' CD2' HD23 ' A' ' 38' ' ' LEU . 41.6 m-85 -102.22 159.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 1.023 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.39 147.93 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.1 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.55 -27.58 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.501 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.36 -25.03 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.023 HG22 ' O ' ' A' ' 81' ' ' SER . 4.8 m -61.17 -40.27 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.875 HG13 HD22 ' A' ' 24' ' ' LEU . 1.2 mp -62.37 -39.96 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.909 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.0 m-80 -61.25 -39.84 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.6 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -72.61 -34.57 67.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.716 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.47 -50.24 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.17 -46.93 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.4 m -70.93 -21.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.9 m95 -82.95 -20.73 34.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.63 -39.71 1.83 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.923 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.55 169.21 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.4 pt-20 -131.71 155.12 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 168' ' ' PHE . 12.0 tp -124.9 136.58 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.635 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.5 pp -138.57 159.06 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.721 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.63 123.86 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' C ' ' A' ' 100' ' ' ASN . 58.3 t80 -72.39 -51.1 21.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 98' ' ' LEU . 24.9 m120 -23.74 -64.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.676 ' C ' ' O ' ' A' ' 100' ' ' ASN . 3.4 t -8.36 110.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -28.9 8.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.0 mt-10 -61.11 -46.7 89.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.587 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.9 m-85 -65.29 -46.54 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.8 -46.26 78.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -68.05 -32.69 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.735 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -69.68 -25.37 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.735 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 16.2 mtt180 133.28 57.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.587 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -127.0 117.77 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 1.4 m-20 -107.51 151.09 40.85 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.97 -33.42 4.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.65 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.06 -22.56 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 112' ' ' ILE . 0.8 OUTLIER -20.35 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 2.3 pt-20 -30.34 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -175.84 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 170' ' ' VAL . 21.3 t -124.21 120.02 31.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.043 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.15 158.1 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.821 HD12 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -127.94 148.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 5.1 t -127.48 145.84 50.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 166' ' ' SER . 1.6 t-20 -133.95 122.75 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -114.02 107.99 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.24 -90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -104.64 111.49 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.614 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.1 t-160 97.24 139.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.575 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.791 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 53.1 p-90 -128.92 165.0 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.032 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.95 158.67 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.52 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.55 135.93 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.043 HG21 ' CE2' ' A' ' 117' ' ' PHE . 15.6 t -123.63 130.68 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -131.58 143.82 50.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -71.42 106.64 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.59 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -92.3 117.87 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 131' ' ' LEU . . . 58.95 -95.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 7.5 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.807 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.544 ' NE2' ' OD1' ' A' ' 150' ' ' ASP . 44.9 mm-40 -124.52 159.71 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CD1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -94.18 113.9 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.644 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.2 m-85 -109.69 140.07 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -97.92 146.88 25.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.498 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -141.18 128.93 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.55 ' OD1' HD23 ' A' ' 141' ' ' LEU . 3.8 t-20 -174.83 -73.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 139' ' ' ASN . 0.4 OUTLIER 169.55 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.13 -20.11 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.746 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.1 -4.02 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.76 25.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 146.03 -175.18 25.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 156.56 33.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.619 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -102.1 123.69 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.629 HD11 ' OD1' ' A' ' 137' ' ' ASN . 19.9 mt -116.66 116.18 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 146.11 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.544 ' OD1' ' NE2' ' A' ' 134' ' ' GLN . 0.7 OUTLIER -55.09 -30.66 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.5 t -83.64 -21.42 32.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -86.49 -46.61 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -54.08 -47.25 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.28 89.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.57 -38.82 90.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.866 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.99 -51.81 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.71 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -60.87 -34.51 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.71 95.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.97 -48.62 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.84 -32.64 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.1 mt-30 -66.27 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.22 -25.78 62.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.77 -35.02 62.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.693 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.28 -96.17 0.1 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.693 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.56 109.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -165.97 68.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.968 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.3 mt -133.6 136.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -123.72 124.86 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.493 HG13 ' CZ ' ' A' ' 115' ' ' ARG . 1.2 t -96.13 122.02 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.643 HG22 HD13 ' A' ' 96' ' ' LEU . 10.5 t -86.83 110.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.635 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -116.77 138.09 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.42 -157.41 23.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.923 ' O ' HD22 ' A' ' 94' ' ' LEU . 30.1 t70 -85.12 119.11 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.6 tm? -104.38 126.4 31.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.576 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.03 152.16 40.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.7 161.99 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 179' ' ' ALA . 31.9 p -146.87 172.88 12.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.93 -42.23 65.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.59 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.584 ' HA ' HD23 ' A' ' 183' ' ' LEU . 32.5 t70 -58.36 -34.66 70.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -75.75 -41.02 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.705 HD11 ' O ' ' A' ' 8' ' ' SER . 19.6 mt -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 180' ' ' ASP . 0.3 OUTLIER -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.474 ' HG3' HD12 ' A' ' 183' ' ' LEU . 6.2 mt-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.66 ' O ' HD13 ' A' ' 182' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.872 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.2 mtt -55.54 -14.8 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.63 -24.59 49.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.819 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -139.51 43.88 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 6' ' ' MET . 2.1 mt -94.35 123.82 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CG ' ' C ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 157.71 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.804 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.804 ' H ' HD23 ' A' ' 18' ' ' LEU . 77.5 m -115.51 173.81 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -54.68 -24.33 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.837 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.85 -45.82 20.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -59.22 -44.17 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -42.81 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 85' ' ' ILE . 31.5 tp -64.38 -38.27 90.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' GLU . 12.3 m-20 -62.12 -44.56 96.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 5.6 m-20 -73.68 -32.68 64.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -69.32 -7.18 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.99 -9.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -160.87 161.42 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -71.52 -102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 66.88 28.79 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -155.19 141.61 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -110.64 172.41 3.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.458 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -23.34 13.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.81 -43.99 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.18 -48.55 81.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.837 HD12 ' HB2' ' A' ' 21' ' ' GLN . 4.7 mt -57.15 -34.51 68.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.629 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 21.4 t -68.18 -45.89 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -31.01 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.0 -47.55 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.718 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -56.5 -48.52 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 39' ' ' SER . 6.3 m170 -64.6 -46.74 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 48' ' ' GLU . 72.8 mt-30 -64.44 -33.99 77.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.65 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.15 -47.92 80.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 26.5 t70 -60.27 -44.86 94.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.98 -47.33 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 44' ' ' GLN . 3.3 tt0 -68.04 -51.43 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 tp10 -59.53 -42.53 92.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 12.2 ttp180 -59.18 -49.27 78.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.0 ptm -73.19 -43.54 61.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.589 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tpp180 -59.12 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.512 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.1 ptm -70.76 -42.66 70.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.98 -48.8 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -79.27 -31.32 43.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -66.4 -7.55 40.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 87.24 50.19 3.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -40.25 -28.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 0.811 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.5 t 52.94 13.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 58' ' ' VAL . 5.6 t 77.9 -47.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.29 -47.49 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 10.3 m-20 -62.93 -32.92 74.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.26 -53.76 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.7 mmm-85 -67.26 -27.47 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.64 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.46 -44.96 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 63' ' ' TYR . 12.0 mt -35.0 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.8 mm100 -47.08 -22.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.614 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.1 mt-30 -74.52 160.56 80.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 m -133.21 -105.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 53.15 43.79 63.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 74' ' ' MET . 28.7 m-20 63.61 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.777 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 4.1 ptt? 178.67 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.747 ' N ' ' HG3' ' A' ' 74' ' ' MET . 0.6 OUTLIER -112.23 -175.42 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.93 -29.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.55 -42.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . -166.67 54.88 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.777 ' CZ ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -158.2 158.72 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CD2' ' CB ' ' A' ' 19' ' ' CYS . 32.4 m-85 -119.74 159.27 24.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.989 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.95 145.21 55.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.128 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.69 -28.98 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -62.98 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 81' ' ' SER . 3.2 m -61.14 -36.87 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.943 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.72 -42.63 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -59.01 -44.87 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 3.2 m120 -61.27 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.65 -32.16 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -67.6 -49.55 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 18.3 ptpt -57.05 -48.21 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.9 m -68.7 -24.04 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.7 m95 -80.68 -21.0 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.24 -37.6 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 173' ' ' ASP . 1.2 pt? -90.65 170.83 9.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 171' ' ' LYS . 12.3 pt-20 -134.4 154.74 51.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 168' ' ' PHE . 13.5 tp -124.77 141.91 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 96' ' ' LEU . 1.1 pp -143.6 160.14 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -63.71 138.4 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.934 ' HB2' HG13 ' A' ' 169' ' ' VAL . 32.2 t80 -84.67 -50.74 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.773 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 2.0 m120 -25.28 -57.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.673 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.5 t -8.88 102.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.16 20.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 mt-10 -72.15 -46.66 55.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.648 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.4 m-85 -68.12 -46.49 70.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -55.37 -46.53 76.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.38 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.737 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.34 -24.52 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.737 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptm180 131.14 60.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.648 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.85 119.92 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.534 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -106.7 154.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.99 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.791 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -75.65 -23.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -60.27 -16.75 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.75 119.14 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -67.71 -8.46 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -165.68 110.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.24 158.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.91 HD12 HD11 ' A' ' 82' ' ' ILE . 2.6 mt -123.27 144.75 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -127.33 144.21 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 4.2 t-20 -131.92 124.62 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -114.09 108.34 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.2 mppt? 34.72 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tt0 -102.21 111.39 23.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.589 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.2 t-160 94.5 140.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.851 ' CH2' HD13 ' A' ' 85' ' ' ILE . 58.6 p-90 -128.87 165.02 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.614 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -128.51 159.39 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.48 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -111.81 132.5 54.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.1 HG21 ' CE2' ' A' ' 117' ' ' PHE . 23.6 t -114.76 121.76 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.424 ' NH1' ' HG ' ' A' ' 138' ' ' LEU . 1.0 OUTLIER -121.9 156.32 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.592 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.9 OUTLIER -86.23 123.44 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.941 HD12 ' HB2' ' A' ' 136' ' ' PHE . 11.0 mt -117.26 122.41 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 68.31 -101.05 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 19.97 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.53 ' NE2' ' OD1' ' A' ' 150' ' ' ASP . 32.9 mm-40 -140.18 160.53 39.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 6.3 m95 -86.51 145.12 26.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.941 ' HB2' HD12 ' A' ' 131' ' ' LEU . 21.8 m-85 -145.78 136.51 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.778 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.2 p-10 -88.81 150.42 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' H ' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -148.51 139.67 23.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.447 ' H ' HD13 ' A' ' 138' ' ' LEU . 17.4 t30 177.01 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 164.36 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.669 ' HG ' HD13 ' A' ' 142' ' ' LEU . 1.1 pp -68.56 -28.48 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -82.08 -3.57 54.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.44 22.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.462 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.702 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 152.78 174.75 23.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.4 Cg_endo -74.98 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -87.07 155.63 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.748 HD13 ' CZ ' ' A' ' 136' ' ' PHE . 28.2 tp -101.33 123.93 46.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.778 HD11 ' OD1' ' A' ' 137' ' ' ASN . 39.3 mt -115.02 123.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 148.06 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.53 ' OD1' ' NE2' ' A' ' 134' ' ' GLN . 4.3 m-20 -55.15 -33.04 62.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.3 t -83.68 -24.01 31.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -82.52 -45.29 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.08 -48.0 71.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.58 -43.8 88.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.67 -36.78 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.786 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.87 -51.7 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 160' ' ' LEU . 5.0 mt -58.51 -35.0 71.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.97 92.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.56 -48.37 81.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.9 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.92 -36.93 83.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 7.2 mt-30 -62.41 -46.4 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -70.9 -28.59 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.41 -30.09 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.59 -99.02 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.773 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 158.52 112.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -174.1 73.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.9 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.3 mt -134.81 137.0 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.128 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 144.56 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.934 HG13 ' HB2' ' A' ' 99' ' ' PHE . 35.2 m -112.07 131.59 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.637 HG12 HD12 ' A' ' 94' ' ' LEU . 2.7 t -93.45 110.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -120.87 135.74 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 137.93 -152.63 21.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.718 ' O ' HD22 ' A' ' 94' ' ' LEU . 58.2 m-20 -83.8 120.98 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.832 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -110.23 132.64 21.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.832 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.59 143.8 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 20.5 p -127.07 -167.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.82 -42.42 65.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.21 -39.27 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 13.4 t70 -58.44 -35.12 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -75.75 -35.12 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.819 HD11 ' O ' ' A' ' 8' ' ' SER . 69.0 mt -60.07 -46.03 90.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.874 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -61.35 -41.72 97.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.612 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 11.3 mtt -51.32 -20.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.91 -34.36 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.806 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -145.42 58.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.1 mt -103.3 123.92 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.748 ' HE1' HD21 ' A' ' 138' ' ' LEU . 0.6 OUTLIER 156.63 -165.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 26' ' ' ASN . 11.5 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.727 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 29.4 p -115.85 173.97 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.2 -24.85 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -46.89 -38.99 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 139' ' ' ASN . 3.4 p-80 -54.07 -46.29 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 0.5 OUTLIER -66.46 -42.42 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 85' ' ' ILE . 11.7 tp -61.71 -43.02 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 3.5 m120 -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 22' ' ' HIS . 1.3 m-20 -71.16 -26.81 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 ' OG ' ' A' ' 116' ' ' SER . 4.4 tp -72.04 -47.04 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 92' ' ' TRP . 41.0 mt -77.01 -32.56 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 177' ' ' CYS . 4.5 tm0? 59.14 102.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 167.23 -53.08 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.4 tt0 88.76 64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.5 m-85 -134.5 48.51 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.803 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.69 154.76 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.9 -179.93 1.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.03 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.94 -37.95 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -59.95 -44.52 94.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.02 -44.77 83.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -59.32 -46.0 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -67.25 -41.33 85.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -63.08 -47.97 90.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.43 -46.83 76.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 39' ' ' SER . 13.0 m170 -67.26 -44.69 78.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -64.96 -35.09 80.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.58 -43.93 83.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.68 -45.06 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 tp10 -73.97 -42.37 60.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.7 tt0 -69.61 -52.27 27.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.666 ' CG ' HD12 ' A' ' 45' ' ' LEU . 6.9 mm-40 -60.77 -39.49 89.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 17.7 ttt180 -62.19 -48.97 77.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.6 ptm -72.81 -47.57 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.5 ttt180 -56.99 -48.36 78.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.7 ptm -72.22 -42.51 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.07 -48.5 78.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.4 mm-40 -80.07 -53.8 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -41.67 -22.85 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 102.18 54.66 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -42.28 -27.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.5 t 52.9 14.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 58' ' ' VAL . 6.7 t 77.26 -47.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.57 -47.58 69.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 9.6 m-20 -61.66 -33.21 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.09 -53.55 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.4 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -50.4 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -79.02 -41.4 29.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 63' ' ' TYR . 11.2 mt -40.23 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' PHE . 41.2 mm-40 -53.75 -20.88 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.7 mm-40 -67.91 161.03 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.99 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -90.07 -161.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 97.95 -0.79 59.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 3.0 m120 62.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.514 ' SD ' ' HA ' ' A' ' 39' ' ' SER . 11.6 ptm 177.54 161.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.8 t70 -110.6 172.57 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -133.82 25.69 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 p -105.21 11.68 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.23 31.54 2.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -152.55 134.58 14.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 44.0 m-85 -119.59 160.36 22.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -66.49 145.84 55.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.101 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.3 -27.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.626 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.4 mt-30 -61.6 -26.92 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 4.3 m -61.26 -38.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.821 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.39 -36.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.464 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 31.9 t -64.81 -44.92 88.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.35 -39.43 90.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.803 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.95 -35.17 66.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.929 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.54 -50.75 57.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.56 -44.96 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.1 m -73.31 -20.15 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.7 m95 -82.4 -21.52 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.53 -48.46 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.23 170.85 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.87 157.94 36.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 170' ' ' VAL . 17.0 tp -124.64 132.59 53.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.644 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -140.56 158.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.98 130.74 44.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 167' ' ' ILE . 6.0 t80 -81.92 -38.03 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.877 ' HB2' HD23 ' A' ' 98' ' ' LEU . 10.2 m120 -33.64 -52.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -15.01 106.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.25 20.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 15.8 mt-10 -71.34 -46.84 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.706 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.1 m-85 -67.2 -46.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.3 mt-30 -55.49 -46.71 76.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -63.98 -40.32 96.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.1 mt -65.45 -24.61 67.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 10.8 mtt180 130.43 62.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.706 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.2 119.58 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.9 OUTLIER -106.79 153.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.465 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.1 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.766 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.15 -18.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.8 m-20 -66.09 -10.08 37.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.84 ' HG2' HG22 ' A' ' 169' ' ' VAL . 9.2 tp10 -91.36 150.48 21.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 130' ' ' LYS . 2.0 tmt_? -88.56 -26.22 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.435 ' OG ' HD11 ' A' ' 27' ' ' LEU . 12.2 t -149.71 113.45 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.058 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.095 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.7 154.79 28.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.646 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.8 mt -127.74 144.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -126.57 147.03 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.5 t-20 -129.58 118.81 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.5 OUTLIER -114.04 107.85 16.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER 33.85 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 3.3 tm-20 74.63 -86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -52.13 132.08 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.5 p-90 -129.21 164.8 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.673 ' CD2' HD23 ' A' ' 141' ' ' LEU . 1.3 m-85 -129.11 162.38 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.523 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.13 122.01 44.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.095 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.7 t -106.51 129.33 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 153.83 46.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.692 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.9 mptt -85.06 110.76 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -95.14 120.58 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 183' ' ' LEU . . . 57.78 -96.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 13.75 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.42 148.56 50.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.692 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 0.7 OUTLIER -75.17 128.64 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.004 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.9 m-85 -128.26 136.51 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.673 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -96.9 142.17 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.748 HD21 ' HE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -144.4 146.04 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 142' ' ' LEU . 11.1 t-20 166.17 -70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.51 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.673 HD23 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.9 -23.06 64.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.68 -5.27 51.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.51 22.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.604 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 151.54 -163.14 29.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.452 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.99 97.65 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 142' ' ' LEU . 0.8 OUTLIER -84.72 125.6 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.555 ' CD2' ' CE1' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -80.34 124.58 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 137' ' ' ASN . 17.2 mt -123.3 123.86 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 147.82 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.554 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -55.41 -31.59 61.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.53 -12.86 55.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -99.57 -45.99 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.766 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.95 -48.87 69.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.71 -36.78 81.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -63.99 -49.95 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.614 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.7 mt -60.4 -34.99 74.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.22 95.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.552 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.51 -48.36 81.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.885 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.93 -35.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' A' ' 161' ' ' GLN . 0.8 OUTLIER -63.66 -46.66 84.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.29 -27.62 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.31 -33.53 67.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.691 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.86 -96.44 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.691 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.29 121.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 175.58 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.885 ' CG1' HD11 ' A' ' 160' ' ' LEU . 13.5 mt -134.86 128.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.101 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -116.47 122.3 44.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.1 t -95.45 125.96 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 96' ' ' LEU . 19.1 t -86.66 113.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.644 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -116.81 144.29 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 125.92 -156.6 19.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.563 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.2 m-20 -93.77 118.62 31.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -104.11 129.4 25.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.808 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 128.93 11.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 175' ' ' PRO . 22.9 p30 -51.26 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 29' ' ' GLN . 30.4 p -161.47 178.53 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.33 -42.53 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.762 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.54 -38.21 68.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.813 ' O ' HD22 ' A' ' 183' ' ' LEU . 45.3 t0 -58.23 -34.94 70.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -39.57 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.806 HD11 ' O ' ' A' ' 8' ' ' SER . 11.9 mt -62.43 -30.47 71.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.95 -25.41 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.765 ' O ' HD13 ' A' ' 182' ' ' LEU . 82.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.709 ' HA ' HD12 ' A' ' 9' ' ' ILE . 9.6 mtt -55.46 -11.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 8' ' ' SER . 17.6 pt-20 -53.42 -38.84 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.638 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -142.66 48.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.76 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 3.1 mt -83.99 123.45 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.76 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 21.8 p90 164.31 -167.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 29' ' ' GLN . 9.7 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.689 ' H ' HD23 ' A' ' 18' ' ' LEU . 74.6 m -115.31 174.05 6.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.762 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.24 -24.22 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.53 -25.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -42.94 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.547 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -71.3 -44.77 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 85' ' ' ILE . 27.6 tp -60.3 -45.97 91.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 1.5 m120 -60.53 -42.3 96.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -26.85 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 24' ' ' LEU . 7.5 tp -75.06 -47.4 29.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 48.9 73.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.769 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.16 -51.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.1 tt0 84.49 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.769 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.6 m-85 -138.57 53.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -158.52 142.84 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -120.87 -180.0 0.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.96 -47.58 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.0 -36.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.4 mt-10 -67.24 -49.25 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 21' ' ' GLN . 2.6 mt -58.63 -42.76 89.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.494 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -61.52 -46.06 91.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.56 85.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -62.05 -47.89 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.077 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -57.41 -47.08 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.0 m170 -68.07 -40.23 82.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' A' ' 48' ' ' GLU . 20.5 mt-30 -70.03 -34.73 73.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.077 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -65.74 -47.42 75.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -60.79 -45.18 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.0 tt0 -73.69 -46.17 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.4 tt0 -67.01 -53.48 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.728 ' HG3' HD12 ' A' ' 45' ' ' LEU . 1.1 mm-40 -59.62 -39.77 85.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.9 ttp180 -61.64 -49.12 77.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.2 ptm -73.22 -45.99 52.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.11 -50.25 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 58' ' ' VAL . 4.0 ptm -71.03 -41.55 70.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.08 -48.88 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.1 mm-40 -65.02 -56.59 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.53 -12.19 4.49 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 98.02 -22.3 41.59 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.4 p 49.71 8.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.586 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER 36.99 19.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.36 -49.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 59' ' ' THR . 31.9 mm-40 -53.43 -47.97 69.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.44 -33.76 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.71 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -71.13 -53.29 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -66.7 -27.93 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -49.39 49.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -78.69 -38.37 39.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.3 mt -45.24 -23.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 15.5 mm100 -61.9 -30.58 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.6 mt-30 -60.57 161.63 13.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.03 159.51 41.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -108.45 -141.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . 101.51 -10.29 57.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.643 ' O ' ' O ' ' A' ' 74' ' ' MET . 8.1 m-80 38.13 55.34 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 73' ' ' ASN . 10.3 ptm 49.47 151.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 14.6 m-20 -110.65 -177.97 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.55 -22.03 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -54.58 -26.23 31.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.468 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 136.8 56.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.98 130.54 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 52.7 m-85 -104.59 159.09 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.972 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.25 146.63 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.032 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.84 -27.53 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.74 ' NE2' HG22 ' A' ' 82' ' ' ILE . 23.2 mp0 -62.21 -27.23 68.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 81' ' ' SER . 3.8 m -61.09 -40.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.979 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -61.31 -45.3 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -56.78 -45.28 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.613 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.5 m-80 -60.75 -38.34 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.36 -32.31 66.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.778 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.42 -50.91 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.72 -35.12 79.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' HE3' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -76.42 -21.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 4.6 m95 -87.63 -21.11 25.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -35.96 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.778 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -90.37 170.34 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 171' ' ' LYS . 3.6 pt-20 -133.19 152.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.92 HD11 ' CB ' ' A' ' 168' ' ' PHE . 10.6 tp -125.02 134.45 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.581 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.8 pp -136.54 159.41 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.761 HD23 ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -64.29 129.67 40.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 23.6 t80 -85.0 -43.62 13.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.657 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -35.67 -39.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 t -26.2 108.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.62 19.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.2 tt0 -72.38 -46.81 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.711 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.2 m-85 -66.9 -46.84 73.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.8 mt-30 -55.23 -46.72 76.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.84 -41.29 97.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -64.69 -24.55 67.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.8 mtt-85 130.08 63.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.711 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 119.12 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.74 154.19 40.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.98 -39.84 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -79.2 -26.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.0 m-20 -52.17 -20.35 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.504 ' CD ' HG13 ' A' ' 169' ' ' VAL . 7.2 tp10 -89.98 147.17 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -93.49 -5.58 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -163.07 113.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.172 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -121.47 158.56 28.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mt -121.97 143.37 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.566 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -127.49 139.94 52.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.287 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -131.55 124.51 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.617 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -114.13 108.01 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.03 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.8 -91.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.0 tt0 -103.43 111.06 23.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.5 t-160 96.47 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.578 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.815 ' CH2' HD13 ' A' ' 85' ' ' ILE . 47.1 p-90 -128.99 165.19 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 107.968 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.547 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.56 162.45 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.72 133.46 55.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.172 HG21 ' CE2' ' A' ' 117' ' ' PHE . 24.7 t -116.33 122.05 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -123.22 153.41 40.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 3.0 ttpt -85.48 105.3 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.624 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -90.2 122.35 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.843 ' O ' HD12 ' A' ' 183' ' ' LEU . . . 69.34 -78.88 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -156.78 23.76 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 133' ' ' LYS . 73.0 mm-40 -140.54 153.86 46.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.525 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.45 116.18 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.015 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.617 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.4 m-30 -112.95 135.64 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.513 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -87.72 140.29 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.8 mt -148.61 144.19 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 140' ' ' SER . 7.9 t-20 165.82 -59.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 159.98 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.719 HD23 HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -73.22 -25.17 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.719 HD13 HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -89.12 -4.61 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 47.48 24.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.663 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 147.32 178.8 22.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.62 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.09 123.95 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.602 ' HG ' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -68.09 123.39 20.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 137' ' ' ASN . 15.5 mt -105.81 137.72 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.7 150.78 26.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -55.0 -40.69 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -84.12 -3.35 58.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.445 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -99.93 -49.61 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.23 70.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -66.13 -42.74 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.0 -37.03 85.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.706 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -63.65 -51.62 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.5 mt -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.95 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.7 -48.41 80.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.75 -35.54 81.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.426 ' HB3' HE21 ' A' ' 161' ' ' GLN . 1.0 OUTLIER -64.89 -46.44 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.25 -25.24 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.67 -33.68 60.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.713 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.64 -97.82 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.713 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.87 108.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -173.75 77.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.9 mt -134.88 134.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.032 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -124.23 122.04 36.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -93.31 123.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.651 HG22 HD13 ' A' ' 96' ' ' LEU . 2.5 t -87.81 115.02 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.581 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -125.36 133.2 52.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 149.09 -145.8 14.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.703 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.5 m-20 -95.47 120.2 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.854 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.58 132.36 21.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.854 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -176.77 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.86 -151.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.1 pt-20 -52.93 -42.61 65.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -56.02 -41.77 75.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.36 -35.0 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.42 -39.84 62.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 5' ' ' SER . 36.1 mt -65.23 -27.12 68.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 132' ' ' GLY . 3.4 tt -56.63 -39.22 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.812 ' HB2' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.702 ' O ' HD13 ' A' ' 182' ' ' LEU . 6.1 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.785 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.87 -14.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.97 -21.69 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 182' ' ' LEU . 4.7 t -137.04 37.28 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.6 mt -90.6 139.17 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CD1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER 82.72 125.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.756 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.719 HD12 ' SG ' ' A' ' 19' ' ' CYS . 3.6 pp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' HD12 ' A' ' 18' ' ' LEU . 20.5 m -115.42 174.5 5.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 108.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.45 -24.37 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.82 -33.49 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -56.55 -48.57 77.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.77 -37.04 83.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.914 HD22 HG13 ' A' ' 85' ' ' ILE . 32.0 tp -62.71 -45.81 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.5 -44.92 92.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.66 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 2.0 t30 -70.94 -39.38 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.38 -45.43 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -76.3 -1.25 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 2.9 pt20 34.09 54.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.756 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -171.18 -32.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 30' ' ' GLY . 1.2 mt-10 77.23 -117.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 1.8 m-85 64.28 28.56 13.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.821 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -140.78 154.86 46.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -128.12 175.66 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.041 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.03 -45.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.66 -41.17 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 18.3 mt-10 -58.64 -40.53 83.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 HG21 ' A' ' 84' ' ' VAL . 2.9 mt -58.47 -45.71 88.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -59.81 -45.97 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -67.39 -42.94 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.53 -45.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -58.73 -45.63 89.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' SER . 9.9 m170 -68.37 -42.77 78.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.12 -36.71 82.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -67.7 -43.28 80.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.8 tt0 -74.29 -34.73 63.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -77.2 -50.98 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.2 tp10 -62.52 -36.19 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.585 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 28.5 ttt180 -70.73 -48.73 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.571 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.7 ptm -72.76 -49.62 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -56.18 -47.27 78.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 58' ' ' VAL . 5.8 ptm -72.92 -40.19 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -66.94 -48.28 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' CG ' ' O ' ' A' ' 51' ' ' MET . 2.4 mm-40 -63.39 -58.17 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.45 -12.41 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 97.42 -20.35 51.06 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.688 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.3 p 49.87 8.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER 37.57 19.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER 65.93 -50.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 59' ' ' THR . 7.7 mt-10 -53.24 -47.54 68.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.23 -33.79 67.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.688 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -70.53 -53.34 16.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.52 -27.78 68.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.3 -48.82 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -78.46 -42.66 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.1 mt -39.8 -27.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.5 mm100 -53.67 -36.55 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.619 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -60.92 164.13 8.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.09 131.01 13.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.6 p -95.56 -148.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 91.54 8.66 63.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.4 m-80 63.98 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.3 ptm 174.83 172.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 17.2 t0 -110.32 -177.05 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -149.94 24.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -105.95 10.06 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.76 41.9 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -166.32 138.68 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 39.4 m-85 -116.41 158.89 22.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.846 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.6 t -67.59 139.23 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -60.23 -27.03 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.812 ' HB3' HD21 ' A' ' 45' ' ' LEU . 29.9 mm-40 -61.65 -26.12 67.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.888 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.8 m -61.2 -39.58 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.914 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -63.32 -36.98 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 96' ' ' LEU . 40.6 t -65.17 -43.79 90.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -60.77 -41.05 94.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.25 -33.76 72.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.99 -49.29 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.7 ptmt -56.95 -46.35 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 87' ' ' ASN . 14.8 m -71.74 -22.64 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.01 -20.51 41.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.33 3.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.9 OUTLIER -90.73 170.13 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.03 155.66 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.62 125.96 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.67 158.77 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.2 148.08 52.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.863 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.3 t80 -94.79 -46.58 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.755 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 2.3 m120 -29.2 -54.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.666 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -10.96 102.48 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.9 tt0 -73.57 -46.85 44.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.645 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.0 m-85 -67.86 -46.19 72.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.0 mt-30 -55.1 -46.4 75.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.83 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.54 -24.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.0 ptt180 131.71 60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.645 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.82 119.28 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 1.4 m-20 -106.5 154.32 39.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.98 -36.39 2.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.53 -25.1 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.5 m-20 -60.15 -15.28 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -94.44 110.4 22.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.05 -33.14 64.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.74 114.77 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.148 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -123.68 155.24 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 96' ' ' LEU . 2.4 mt -126.33 143.14 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.495 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -127.28 146.36 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.6 OUTLIER -136.36 125.39 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.97 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 36.23 -90.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.604 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -103.85 111.87 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.9 t-160 96.25 138.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.794 ' CH2' HD13 ' A' ' 85' ' ' ILE . 45.2 p-90 -129.03 164.83 22.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.033 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.04 157.24 42.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.437 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.75 134.88 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.148 HG21 ' CE2' ' A' ' 117' ' ' PHE . 16.5 t -119.34 125.06 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.591 HH22 HD23 ' A' ' 131' ' ' LEU . 6.1 ptm180 -124.88 147.84 48.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.42 111.09 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.799 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 2.2 tm? -100.58 122.07 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.773 ' O ' HD23 ' A' ' 183' ' ' LEU . . . 69.67 -81.17 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' OE1' ' A' ' 134' ' ' GLN . 2.5 tttp -153.88 21.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 0.9 OUTLIER -135.36 159.8 40.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -96.86 119.83 36.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.81 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 1.4 m-85 -116.68 133.48 55.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -87.94 150.1 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.735 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -154.04 142.37 20.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 140' ' ' SER . 11.4 t-20 169.41 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.2 t 155.36 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -73.33 -29.98 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.735 HD21 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -92.47 -5.09 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 44.47 26.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.435 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.584 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.48 -178.16 33.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 138' ' ' LEU . 18.4 Cg_endo -75.0 64.53 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.19 103.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.81 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 1.4 tp -57.84 134.2 56.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 137' ' ' ASN . 61.2 mt -113.5 148.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 156.31 17.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.551 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.6 OUTLIER -59.96 -38.97 84.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.9 t -83.51 -2.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.4 -50.8 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.618 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.1 tm? -54.0 -47.66 71.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.82 84.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -64.11 -39.25 93.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.911 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.09 -51.53 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -60.59 -34.34 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.03 87.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.8 -49.29 68.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.955 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.04 -35.43 81.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.1 mt-30 -64.36 -46.63 82.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -70.75 -25.69 63.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -76.23 -31.53 58.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.45 -97.36 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.755 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 157.52 114.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -177.35 70.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.955 ' CG1' HD11 ' A' ' 160' ' ' LEU . 18.3 mt -130.07 136.83 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -124.42 143.2 50.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 99' ' ' PHE . 25.3 m -111.45 122.92 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 94' ' ' LEU . 2.5 t -88.4 110.51 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.01 134.79 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 147.54 -149.0 21.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.67 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -91.06 119.89 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.909 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.4 OUTLIER -101.02 134.13 20.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.909 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 161.36 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.491 ' CG ' ' N ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -108.0 169.39 8.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 0.6 OUTLIER -172.2 -148.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.251 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 3.8 mm-40 -66.19 -39.17 89.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.799 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.31 -39.03 69.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.467 ' CB ' ' OD2' ' A' ' 176' ' ' ASP . 8.4 t70 -58.5 -39.96 81.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' GLN . . . . . 0.596 ' HG3' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.12 -28.1 61.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 5' ' ' SER . 85.0 mt -72.05 -29.98 64.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 132' ' ' GLY . 1.4 tm? -57.04 -47.63 80.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.871 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.484 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 ttm -62.47 -5.3 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.15 -14.12 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.724 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.07 40.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 7.5 mt -94.03 123.68 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.605 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 4.1 p90 171.25 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.3 pt? . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.703 ' H ' HD23 ' A' ' 18' ' ' LEU . 90.3 m -114.28 174.64 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.814 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.37 -23.96 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.823 ' OE1' HD23 ' A' ' 24' ' ' LEU . 7.0 tp-100 -46.45 -24.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -64.13 -55.98 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.551 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 1.4 m -60.54 -38.61 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.823 HD23 ' OE1' ' A' ' 21' ' ' GLN . 31.8 tp -60.92 -35.77 77.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.521 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 21.9 m120 -67.95 -45.16 75.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.68 -31.84 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.5 -47.19 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.789 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -76.9 -1.88 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.631 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 54.2 tt0 98.68 -54.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -129.59 168.03 21.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -61.03 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-30 71.38 4.06 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -133.71 148.33 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -121.37 -179.31 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.587 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -74.98 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.82 -37.81 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 3.3 mt-10 -65.9 -42.0 90.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 ' CD2' ' A' ' 80' ' ' PHE . 5.1 tp -64.52 -43.86 92.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.488 ' OG ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.36 -45.55 87.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -68.3 -38.37 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.63 -47.79 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.02 -47.07 87.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 19.8 m170 -64.57 -47.78 77.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -61.86 -34.49 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -65.52 -44.61 86.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 8.1 t70 -60.43 -44.19 96.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 51' ' ' MET . 74.2 mt-10 -73.29 -47.07 45.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.9 tt0 -68.97 -51.7 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.2 tt0 -59.78 -39.59 85.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 ttt180 -62.09 -48.98 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.3 ptm -72.36 -44.42 62.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 51' ' ' MET . 3.1 tpp180 -60.66 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.2 ptm -72.4 -41.14 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.01 -48.84 72.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -77.65 -53.11 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.75 -20.31 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 95.97 58.73 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.912 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.6 p -50.92 -22.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.9 t 51.65 15.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.4 t 79.53 -43.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.77 -47.34 70.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.903 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.912 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.45 -53.61 22.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.1 mtp180 -66.9 -27.32 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -49.7 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.45 -44.88 23.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.6 mt -36.44 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 12.6 mm100 -51.01 -20.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.585 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -73.0 158.82 86.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.2 Cg_endo -75.01 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -60.3 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' PRO . . . -59.91 -24.39 60.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.846 ' O ' ' HB3' ' A' ' 74' ' ' MET . 2.1 m120 -50.11 -62.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.846 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 20.3 ptm 123.64 165.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.598 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 19.2 t0 -110.61 -176.25 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -143.61 27.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -114.93 12.56 16.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.489 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 105.84 42.99 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -164.42 129.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.743 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.2 m-85 -104.44 156.98 17.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.787 ' O ' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -67.42 139.66 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -56.16 -27.39 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.565 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 31.2 mm-40 -62.09 -24.97 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.048 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.5 m -60.52 -42.89 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.837 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.58 -44.46 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 48.1 t -56.75 -45.26 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.882 HD21 HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -61.47 -38.05 85.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -73.06 -36.9 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 96' ' ' LEU . 4.1 mt -65.46 -50.39 65.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.4 m -71.54 -19.78 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.789 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -83.92 -20.59 32.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.059 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.22 -38.99 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.974 HD12 HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -90.53 170.39 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 171' ' ' LYS . 7.6 pt-20 -125.53 149.8 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.59 125.53 44.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.653 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.4 pp -136.15 158.25 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.43 148.34 51.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.967 ' HB2' HG13 ' A' ' 169' ' ' VAL . 26.5 t80 -96.53 -43.49 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.857 ' ND2' ' CE2' ' A' ' 165' ' ' TYR . 1.1 t30 -29.58 -49.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.0 t -17.19 103.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.04 -16.54 20.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 18.5 mt-10 -71.75 -47.14 55.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.72 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.8 m-85 -67.42 -46.98 71.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.7 mt-30 -55.33 -47.13 76.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 6.7 mtp180 -63.1 -41.59 99.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.5 mt -64.73 -24.53 67.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 1.2 ptt180 129.73 63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.72 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.97 122.62 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.95 155.64 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.562 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.03 -37.08 2.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.727 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -82.18 -18.78 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 5.8 m-20 -75.5 64.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HG2' ' HB ' ' A' ' 169' ' ' VAL . 0.8 OUTLIER -166.2 169.4 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.612 ' HG3' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -84.13 -38.4 20.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.612 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 1.7 t -157.1 138.13 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.131 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -117.24 154.52 31.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.939 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -122.97 145.06 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -127.36 141.4 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 166' ' ' SER . 3.5 t-20 -129.99 123.46 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.587 ' CD1' ' HE3' ' A' ' 122' ' ' LYS . 1.4 t80 -113.44 109.17 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.587 ' HE3' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER 59.34 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -113.93 -72.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 140.44 54.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -128.85 164.96 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.671 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.5 m-85 -128.82 161.74 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.601 HG23 HD13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -116.08 122.65 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.131 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.6 t -105.46 127.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.26 140.04 52.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.684 ' CD ' ' CE3' ' A' ' 135' ' ' TRP . 6.6 mmtp -84.43 113.65 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.004 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.6 OUTLIER -107.08 122.21 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' HD23 ' A' ' 183' ' ' LEU . . . 63.85 -107.22 1.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 2.84 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.414 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 31.5 mm-40 -117.73 152.54 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.684 ' CE3' ' CD ' ' A' ' 130' ' ' LYS . 1.8 m95 -97.97 126.44 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 4.1 m-85 -122.36 136.79 54.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.716 ' ND2' HG22 ' A' ' 128' ' ' VAL . 1.9 t-20 -88.48 146.91 24.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.584 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -138.5 131.7 30.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.628 ' HB3' HD11 ' A' ' 142' ' ' LEU . 3.3 t-20 179.84 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.9 t 178.31 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -68.67 -19.25 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.691 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -94.1 -3.3 51.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 45.93 26.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 147.57 -169.0 28.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.99 82.01 2.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.66 117.23 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -68.23 123.51 20.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 153' ' ' LEU . 76.8 mt -124.03 113.86 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.66 148.24 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.436 ' HA ' ' NE1' ' A' ' 135' ' ' TRP . 1.6 m-20 -54.96 -32.49 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.2 t -83.64 -20.51 33.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.18 -42.72 13.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.727 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.23 -48.03 71.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.34 -45.51 79.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.914 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -60.53 -48.02 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -61.58 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.32 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.466 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -67.11 -48.28 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.939 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -65.37 -35.22 80.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 167' ' ' ILE . 4.1 mt-30 -63.23 -46.94 84.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.48 -26.44 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -75.9 -29.26 58.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.723 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.11 -100.2 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.857 ' CE2' ' ND2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 158.94 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 174.86 78.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.939 ' CG1' HD11 ' A' ' 160' ' ' LEU . 6.1 mt -135.32 132.95 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.075 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.09 147.3 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.967 HG13 ' HB2' ' A' ' 99' ' ' PHE . 26.3 m -124.28 120.56 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.974 HG23 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.61 110.18 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -111.51 144.8 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 138.32 -145.92 17.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.915 ' O ' HD22 ' A' ' 94' ' ' LEU . 14.4 t0 -103.42 120.6 41.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -96.4 132.81 25.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.768 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 175' ' ' PRO . 4.8 m-20 -43.36 166.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.504 ' CB ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 p -162.37 170.08 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.602 ' OE2' ' CE1' ' A' ' 10' ' ' PHE . 2.0 pt-20 -52.97 -42.86 65.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 1.004 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -59.54 -39.26 83.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.441 ' O ' HD12 ' A' ' 183' ' ' LEU . 4.2 t70 -58.13 -34.79 70.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.69 -43.93 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 5' ' ' SER . 45.7 mt -54.7 -38.51 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -57.27 -33.64 67.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.981 ' N ' HD13 ' A' ' 183' ' ' LEU . 5.0 tt0 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 182' ' ' LEU . 3.8 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.757 ' HA ' HD12 ' A' ' 9' ' ' ILE . 28.2 mtp -67.22 -3.36 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.99 -11.94 60.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HD11 ' A' ' 182' ' ' LEU . 4.9 t -154.19 37.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.6 mt -87.53 123.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 158.31 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 5.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD11 ' SG ' ' A' ' 19' ' ' CYS . 1.2 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 18' ' ' LEU . 1.6 p -116.32 173.88 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -60.94 -24.35 65.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.676 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -46.54 -29.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 1.3 t-80 -57.99 -53.89 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -63.11 -37.71 88.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 89' ' ' LEU . 15.0 tp -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.5 m120 -60.5 -42.2 95.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -74.72 -35.72 62.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' CYS . 1.8 tp -68.08 -45.66 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 92' ' ' TRP . 38.6 mt -74.86 -1.52 22.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER 77.51 -47.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.641 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -118.6 136.15 11.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -53.56 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.295 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 69.5 34.06 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.77 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -158.8 154.15 25.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.58 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -131.55 -177.33 0.67 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -55.91 -37.65 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 4.7 mt-10 -64.74 -42.26 95.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 80' ' ' PHE . 1.6 tp -64.34 -42.47 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.487 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.74 -45.77 88.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.77 -45.56 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.942 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.74 -47.28 87.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 16.2 m170 -68.51 -42.24 78.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.633 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.35 -47.06 85.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.818 HD22 ' OD1' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -62.21 -38.53 89.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 7.1 t70 -60.19 -44.9 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' MET . 18.1 mt-10 -73.64 -42.43 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -72.46 -52.35 16.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.662 ' HB3' HD12 ' A' ' 45' ' ' LEU . 1.1 pp20? -59.47 -39.13 82.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.5 ttm180 -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.3 mtm -71.38 -51.44 24.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.81 -45.97 81.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 3.5 ptm -72.42 -42.41 65.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -68.13 -48.66 64.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.552 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.2 pp20? -74.1 -34.41 63.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -72.56 -8.16 70.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 95.08 -31.6 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.947 HG23 ' HB3' ' A' ' 62' ' ' ASP . 3.0 p 48.67 11.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.09 22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER 63.89 -50.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 59' ' ' THR . 11.6 mt-10 -53.49 -47.79 69.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.947 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.85 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.91 -53.73 41.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.2 mmt85 -67.61 -26.92 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -50.47 48.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.25 -41.0 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.644 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.2 mt -39.93 -27.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.8 mm100 -54.17 -33.91 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.508 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -64.56 162.07 38.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.06 152.37 40.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -115.13 -101.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 43.29 43.24 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' C ' ' HG2' ' A' ' 74' ' ' MET . 2.8 m120 64.05 -68.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.639 ' SD ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 ptm 172.75 -82.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 19.3 p-10 -83.05 -175.62 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -167.36 -31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 t -141.37 -66.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.65 59.42 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -168.92 161.51 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.757 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.3 m-85 -120.0 159.45 24.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.89 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.39 149.34 50.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.116 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -64.15 -27.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.808 ' HB3' HD21 ' A' ' 45' ' ' LEU . 40.9 mm-40 -61.62 -25.87 67.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.9 m -60.84 -40.7 86.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.819 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -62.73 -44.34 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 6.4 t -55.93 -45.38 78.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.969 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.46 -41.07 96.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.24 -36.59 69.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.4 mt -67.43 -49.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -57.04 -46.71 82.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -72.97 -20.01 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.72 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -82.2 -20.97 36.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.22 -42.48 1.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.41 166.51 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.9 pt-20 -122.35 156.38 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.89 125.87 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.511 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -133.1 159.44 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.848 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.63 146.28 54.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.911 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.8 t80 -91.75 -51.08 5.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.694 ' O ' ' C ' ' A' ' 101' ' ' SER . 32.2 m120 -23.85 -65.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.732 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 2.2 t -2.56 104.85 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -14.53 21.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.0 mt-10 -72.26 -46.34 56.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.658 ' O ' HD13 ' A' ' 109' ' ' ILE . 2.1 m-85 -70.12 -46.84 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 101' ' ' SER . 83.8 mm-40 -53.87 -47.5 70.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -35.14 70.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -62.5 -25.29 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 4.3 ptt180 130.68 53.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.5 mp -126.92 120.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.41 154.65 39.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.744 ' CB ' HD12 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.97 -33.19 4.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.605 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.76 -23.44 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -68.38 -9.29 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.611 ' HG3' HG12 ' A' ' 169' ' ' VAL . 64.0 mm-40 -87.81 113.07 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 116' ' ' SER . 0.2 OUTLIER -60.39 -19.95 57.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -156.77 112.0 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.122 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.33 157.61 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 82' ' ' ILE . 6.2 mt -128.22 140.49 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -122.01 146.72 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.588 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -129.37 121.51 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -113.95 107.79 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER 32.96 86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 77.9 -84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -54.83 133.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -129.37 165.37 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.49 161.44 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.14 128.05 55.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.122 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.2 t -114.3 121.19 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.495 ' NH2' ' CD2' ' A' ' 138' ' ' LEU . 16.2 ptt180 -120.76 152.42 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -94.94 126.56 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.97 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -115.59 121.37 42.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.05 -89.87 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.39 22.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.496 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 25.2 mm-40 -132.63 159.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 6.8 m95 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 5.5 m-85 -131.75 134.24 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.556 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -90.85 145.5 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.495 ' CD2' ' NH2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -143.07 139.19 30.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.569 ' H ' HD21 ' A' ' 142' ' ' LEU . 28.5 t-20 172.08 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.1 p 172.19 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -69.08 -22.26 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.81 -3.62 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.29 26.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.351 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.601 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.47 -165.11 27.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 93.87 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.88 112.3 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -67.36 123.22 19.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.623 HG22 ' HB2' ' A' ' 153' ' ' LEU . 43.2 mt -117.75 116.01 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.39 146.02 36.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.52 ' O ' HG21 ' A' ' 112' ' ' ILE . 3.9 m-20 -55.06 -31.69 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.74 -23.03 31.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -85.02 -45.73 11.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HB2' HG22 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -54.0 -48.04 70.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -65.69 -43.85 87.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.31 -36.72 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.78 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.52 -51.56 59.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.744 HD12 ' CB ' ' A' ' 111' ' ' PRO . 10.4 mt -58.28 -34.89 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.41 87.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.502 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.9 -48.5 81.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.92 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.62 -37.13 82.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -61.51 -46.63 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -70.97 -29.01 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.76 -28.96 62.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.86 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.699 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.27 108.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.4 OUTLIER -166.37 69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.995 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.92 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.0 mt -134.92 136.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.116 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 141.71 51.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.911 HG13 ' HB2' ' A' ' 99' ' ' PHE . 34.0 m -108.87 124.57 65.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.568 HG12 HD12 ' A' ' 94' ' ' LEU . 3.8 t -86.96 110.24 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -115.05 141.23 48.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 135.03 -151.98 20.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -94.7 118.8 32.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -102.19 132.28 21.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.99 -168.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -135.43 159.13 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.51 -171.77 3.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 2.7 mm-40 -52.67 -37.98 59.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.97 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -55.6 -33.61 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.408 ' HA ' HD23 ' A' ' 183' ' ' LEU . 7.9 t70 -58.58 -40.72 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -80.02 -25.21 40.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 179' ' ' ALA . 86.2 mt -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.6 OUTLIER -62.13 -44.94 95.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 182' ' ' LEU . 54.3 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.781 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.9 mtt -53.39 -9.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 5' ' ' SER . 16.2 pt-20 -52.9 -47.74 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.643 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -130.49 54.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.054 HD13 HD21 ' A' ' 131' ' ' LEU . 10.9 mt -103.21 123.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.714 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 166.24 -139.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.927 ' HE1' ' CB ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.942 ' N ' HD12 ' A' ' 18' ' ' LEU . 83.9 m -116.01 173.61 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.38 -25.5 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.677 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.75 -33.55 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 t-80 -54.69 -51.23 66.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 m -65.68 -37.33 86.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD22 HG13 ' A' ' 85' ' ' ILE . 34.8 tp -62.39 -45.68 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.927 ' CB ' ' HE1' ' A' ' 11' ' ' HIS . 30.9 m120 -60.02 -43.84 94.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.592 ' OD1' ' CG ' ' A' ' 11' ' ' HIS . 59.2 m-80 -71.7 -38.43 70.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.852 HD12 ' CD ' ' A' ' 129' ' ' ARG . 3.8 tp -65.39 -43.45 90.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.82 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.2 mp -74.81 -13.29 60.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 29' ' ' GLN . 1.2 tm0? 67.59 100.91 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . 118.92 -88.05 0.43 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER 156.45 -94.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 52.1 41.69 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.681 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.75 143.73 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.041 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -119.02 174.08 3.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.604 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.01 -46.09 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -55.96 -41.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.8 mt-10 -59.95 -41.61 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 80' ' ' PHE . 2.5 tp -59.93 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -58.2 -46.05 86.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -68.72 -48.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.996 ' HA ' HD12 ' A' ' 45' ' ' LEU . . . -58.03 -41.52 83.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' SER . 16.4 m170 -68.96 -41.66 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -70.98 -47.14 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.81 -36.03 82.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 19.9 m-20 -65.52 -44.82 85.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -47.31 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -63.65 -46.24 86.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -65.39 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.5 ttp180 -71.31 -47.48 56.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.536 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 26.9 ptm -71.98 -48.65 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -58.1 -46.67 85.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.562 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.6 ptm -72.54 -39.03 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.45 -48.65 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -71.08 -30.61 66.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.19 -3.95 88.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.11 -32.05 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.743 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.5 p 49.73 8.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.3 t 37.31 19.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.99 -51.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.044 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 9.1 mt-10 -53.2 -47.96 68.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 2.6 m-20 -56.86 -33.08 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.743 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.79 -53.41 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.08 -30.18 70.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.34 -50.29 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -78.99 -28.23 43.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 63' ' ' TYR . 8.5 mt -55.12 -9.74 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 66' ' ' PHE . 60.3 mm-40 -89.51 -1.84 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.633 ' HG2' HD23 ' A' ' 98' ' ' LEU . 8.0 mt-30 -88.53 -49.36 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.06 -171.77 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -37.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' MET . . . -156.06 37.84 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 81' ' ' SER . 82.7 m-20 60.07 -85.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.477 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 19.9 ptm -172.83 157.09 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.47 178.69 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.16 18.14 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -96.98 -0.35 47.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.504 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 127.49 40.87 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.7 128.48 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.684 ' CD2' HD23 ' A' ' 38' ' ' LEU . 29.4 m-85 -110.07 158.57 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.4 OUTLIER -67.78 139.73 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.162 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.78 -27.41 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.555 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -61.88 -25.67 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.995 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.88 -39.11 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.868 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.3 -44.12 94.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 11.3 t -56.1 -45.57 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.817 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -64.37 -38.28 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.681 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.63 -35.5 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.876 HD13 ' CD1' ' A' ' 94' ' ' LEU . 2.0 mt -67.81 -50.11 58.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.29 -45.19 84.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 87' ' ' ASN . 12.0 m -72.29 -22.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.82 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.8 -20.44 39.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.26 -38.09 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.55 169.73 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.5 pt-20 -126.93 153.36 45.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.678 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.5 125.78 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.61 158.85 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.24 133.98 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 40.1 t80 -86.79 -44.02 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.791 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 0.7 OUTLIER -31.71 -48.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.634 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.4 t -16.63 104.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.41 14.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.6 mt-10 -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.657 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.5 m-85 -68.13 -46.52 70.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -55.54 -47.11 76.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -65.1 -40.05 94.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.2 -24.94 67.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.9 OUTLIER 129.85 60.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.657 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.85 118.47 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.604 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.08 154.35 40.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.0 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.781 HG22 HD23 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -77.36 -19.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.604 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -64.39 -16.89 63.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.605 ' HG3' HG22 ' A' ' 169' ' ' VAL . 4.0 mm-40 -89.39 -178.14 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -112.78 -30.8 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.35 131.48 24.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.029 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -131.71 151.95 51.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.782 HD12 HD11 ' A' ' 82' ' ' ILE . 2.1 mt -124.62 142.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 144.56 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -134.93 125.53 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.66 108.33 16.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 36.28 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -103.61 112.06 24.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 5.9 t-160 95.25 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.842 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.6 p-90 -128.86 165.22 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -128.49 161.48 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -114.25 140.09 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.379 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.029 HG21 ' CE2' ' A' ' 117' ' ' PHE . 20.6 t -125.74 128.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.852 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.93 150.23 51.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.599 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -73.17 111.76 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 9' ' ' ILE . 1.2 tp -108.27 121.94 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.474 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.76 -100.26 0.74 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 14.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 134' ' ' GLN . 1.7 mm100 -141.28 160.47 40.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 2.6 m95 -84.63 136.49 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.634 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 -132.87 140.03 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.673 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -91.53 149.65 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -144.24 134.53 24.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.607 ' H ' HD21 ' A' ' 142' ' ' LEU . 25.9 t30 174.81 -72.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.1 t 174.54 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.779 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.47 -23.84 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.779 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.37 -2.85 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.05 27.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.43 -168.05 26.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -54.34 146.05 16.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.19 123.45 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 137' ' ' ASN . 34.0 mt -121.2 125.09 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 151.33 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m-20 -55.85 -34.81 65.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.57 -15.98 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -90.52 -43.22 10.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.781 HD23 HG22 ' A' ' 112' ' ' ILE . 24.0 tp -54.04 -48.43 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.75 -44.43 85.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.99 -35.47 78.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.792 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.82 -48.85 70.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.834 HD12 ' HB3' ' A' ' 111' ' ' PRO . 7.1 mt -60.74 -35.07 75.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.77 88.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.511 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.94 -48.43 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.977 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.64 -35.13 79.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -64.07 -46.88 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.33 -26.67 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.54 -33.67 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.5 -96.6 0.1 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.791 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 158.47 111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -175.27 76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.977 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.5 mt -134.73 132.33 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.162 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -124.05 117.91 25.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 114' ' ' GLU . 0.9 OUTLIER -88.24 123.13 40.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.74 120.71 36.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.36 133.8 51.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 142.52 -157.46 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.931 ' O ' HD22 ' A' ' 94' ' ' LEU . 2.9 m-20 -86.96 119.51 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.834 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.24 132.42 21.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.834 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.95 -179.53 5.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.23 143.8 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 -166.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.64 -37.8 59.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.96 -38.12 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.32 -34.91 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -75.52 -39.89 57.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.643 HD11 ' O ' ' A' ' 8' ' ' SER . 16.6 mt -61.75 -30.83 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.584 HD22 ' O ' ' A' ' 183' ' ' LEU . 0.8 OUTLIER -56.62 -45.46 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.441 ' HB2' HD13 ' A' ' 183' ' ' LEU . 2.9 mt-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.519 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.799 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -55.4 -9.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 5' ' ' SER . 5.0 mm-40 -64.89 -10.1 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -167.16 41.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 6' ' ' MET . 13.9 mt -87.14 123.61 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 156.89 -162.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.531 ' HB2' ' CG ' ' A' ' 26' ' ' ASN . 4.5 t60 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.842 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 4.7 p -115.66 155.42 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.728 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.98 -24.54 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.917 ' HB2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.7 -37.22 8.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -54.9 -56.88 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.45 -33.83 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 85' ' ' ILE . 9.8 tp -67.52 -38.67 84.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLN . 24.1 m-20 -61.45 -44.98 96.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' CG ' ' HB2' ' A' ' 11' ' ' HIS . 62.0 t30 -63.59 -44.07 95.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 24' ' ' LEU . 1.4 tp -63.04 -39.45 94.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.2 -32.75 70.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 27.6 tt0 150.14 -65.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -142.11 -178.13 17.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 4.7 tt0 -76.4 97.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -132.4 38.18 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' HB3' ' HG3' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -159.29 154.57 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.63 170.37 5.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.552 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.0 Cg_endo -75.04 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.84 -37.1 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.7 mt-10 -60.18 -44.08 95.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 21' ' ' GLN . 4.3 mt -57.25 -42.12 80.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -62.98 -45.74 90.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.99 -35.43 76.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -70.95 -47.64 61.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.067 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.25 -47.34 75.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.1 m170 -68.01 -38.09 82.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 42.7 mt-30 -71.96 -34.7 69.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.067 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -68.4 -46.64 69.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.4 t0 -61.0 -44.88 96.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' MET . 14.3 tt0 -74.01 -46.43 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -66.3 -53.67 33.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 45' ' ' LEU . 3.9 mm-40 -59.69 -41.22 90.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.8 ttp180 -60.3 -49.14 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.577 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.1 ptm -73.11 -39.79 65.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -61.24 -51.06 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.694 ' HE2' HG21 ' A' ' 58' ' ' VAL . 9.4 ptm -72.31 -37.38 68.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -69.62 -48.51 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -71.67 -32.11 67.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.34 -5.68 89.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.19 -27.53 11.38 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.719 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 p 48.48 10.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.622 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.35 20.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.719 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 63.43 -50.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -53.13 -47.8 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.26 -33.22 65.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.666 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.99 -53.34 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -28.49 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -70.13 -48.95 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.56 -36.3 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.8 mt -46.29 -22.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 66' ' ' PHE . 27.0 mm-40 -61.47 -31.02 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.1 mt-30 -58.86 161.79 8.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.04 131.74 14.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.2 p -91.14 -152.74 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 98.22 -0.7 58.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 87.4 m-20 62.98 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.665 ' CE ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 ppp? -178.62 158.04 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.472 ' O ' ' SD ' ' A' ' 74' ' ' MET . 36.9 t0 -110.93 164.82 12.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.25 -1.36 12.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 p -75.23 -8.33 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . 121.15 42.28 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -152.49 134.22 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.665 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 77.7 m-85 -119.45 160.36 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.964 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.26 139.75 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.19 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -63.86 -26.85 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.32 -24.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' SER . 8.0 m -61.32 -37.59 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.867 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -68.18 -37.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 22.8 t -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 4.0 m-80 -65.34 -40.33 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -71.03 -35.05 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.962 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.78 -50.59 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.58 -43.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.0 m -75.65 -20.13 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -84.98 -21.15 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.66 -52.62 0.75 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.039 ' H ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -89.59 171.1 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 159.76 32.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.222 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.59 125.6 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.631 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -132.6 158.95 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.86 138.83 58.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' O ' ' C ' ' A' ' 100' ' ' ASN . 25.8 t80 -90.07 -47.09 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.806 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -27.65 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -21.79 106.73 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.02 -14.88 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.03 -46.89 55.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.64 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.7 m-85 -68.02 -46.79 70.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -54.98 -47.0 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -64.63 -40.97 96.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -63.27 -25.08 68.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER 129.76 64.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.64 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.9 117.48 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.478 ' CB ' ' CG ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -107.77 153.58 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.88 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.01 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.86 -18.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.478 ' CG ' ' CB ' ' A' ' 110' ' ' ASP . 7.8 m-20 -59.98 -15.05 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 2.2 tp10 -94.95 -176.93 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -122.5 -11.14 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.47 114.39 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.742 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -113.99 158.24 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.671 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -128.64 133.48 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 24.2 m -120.91 147.64 45.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.9 OUTLIER -129.34 118.0 21.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -113.93 108.11 16.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 36.83 87.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 2.3 mp0 71.85 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -53.76 133.79 42.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.823 ' CH2' HD13 ' A' ' 85' ' ' ILE . 35.1 p-90 -129.18 164.46 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' HD22 ' A' ' 141' ' ' LEU . 32.7 m-85 -130.28 162.36 29.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.1 133.7 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 117' ' ' PHE . 5.8 t -113.5 127.45 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.534 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 1.8 ttp85 -123.56 157.35 33.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 17.1 pttt -85.44 128.93 34.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.802 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -111.44 92.52 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.618 ' HA2' HD13 ' A' ' 183' ' ' LEU . . . 69.5 -82.97 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.99 19.73 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CB ' HD22 ' A' ' 147' ' ' LEU . 88.1 mm-40 -141.24 131.66 25.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.673 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -82.95 131.75 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.006 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.972 ' HB3' HD23 ' A' ' 147' ' ' LEU . 6.2 p90 -135.17 138.04 43.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.47 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.8 OUTLIER -73.98 147.4 43.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.743 HD23 ' CE2' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -142.37 137.77 30.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.512 ' H ' HD13 ' A' ' 138' ' ' LEU . 1.2 t30 169.34 -74.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.8 OUTLIER 159.83 31.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.699 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -103.85 -28.38 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.877 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -103.05 1.67 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.47 21.36 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.854 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -179.48 158.73 22.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.448 ' HB2' ' HE3' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.96 88.74 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.71 115.5 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 136' ' ' PHE . 34.6 mt -68.38 131.89 46.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 135' ' ' TRP . 87.1 mt -106.48 113.92 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.25 144.1 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 1.5 m-20 -55.21 -31.89 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.63 -16.75 43.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -90.39 -42.63 10.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.647 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -54.18 -48.32 71.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.95 -45.93 79.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.55 -35.63 78.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.844 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -66.23 -48.6 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.88 HD12 ' HB3' ' A' ' 111' ' ' PRO . 9.8 mt -59.44 -36.51 76.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.69 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.84 -48.56 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -67.76 -38.58 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.4 mt-30 -62.27 -45.8 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 159' ' ' GLN . 5.8 pt20 -71.09 -28.37 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.42 -29.01 61.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.89 -98.56 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.806 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 158.26 117.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 177.73 73.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.903 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -135.15 138.31 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.19 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 137.43 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.61 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -106.24 127.17 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 89' ' ' LEU . 4.6 t -89.56 119.88 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.631 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.25 142.78 51.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.545 ' O ' ' NH2' ' A' ' 115' ' ' ARG . . . 131.57 -159.2 23.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.4 t70 -89.59 118.6 29.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -105.11 133.81 19.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.77 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -124.83 160.43 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.33 -170.5 3.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 0.6 OUTLIER -62.79 -42.54 99.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.59 80.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.71 -35.03 72.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -71.67 -43.41 66.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 8' ' ' SER . 29.4 mt -60.47 -33.9 73.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.1 OUTLIER -56.97 -48.15 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.662 ' HG3' HD12 ' A' ' 183' ' ' LEU . 27.9 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.487 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.739 ' HG3' HD12 ' A' ' 9' ' ' ILE . 8.1 mtt -52.57 -16.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.13 -25.88 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -157.81 52.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.739 HD12 ' HG3' ' A' ' 6' ' ' MET . 6.3 mt -90.03 123.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 165.1 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.55 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 9.1 t-160 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.9 pp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' N ' HD12 ' A' ' 18' ' ' LEU . 26.6 p -115.49 173.87 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.751 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.66 -24.59 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -46.82 -34.16 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 23' ' ' CYS . 4.6 p-80 -61.98 -46.54 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.11 -38.97 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD22 HG13 ' A' ' 85' ' ' ILE . 25.9 tp -60.21 -46.37 89.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 5.6 m-20 -61.19 -41.81 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 11' ' ' HIS . 79.5 m-20 -71.93 -25.61 61.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.16 -47.67 27.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 21.9 mt -77.56 -20.43 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 29' ' ' GLN . 3.5 tt0 66.63 72.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 159.12 119.64 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -74.63 82.24 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.3 m-85 -129.93 45.05 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.901 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -159.0 153.0 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -129.6 -179.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.628 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.0 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -35.92 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 5.9 mt-10 -59.4 -49.67 76.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 84' ' ' VAL . 9.0 mt -57.54 -42.19 82.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 14.7 t -60.82 -45.56 93.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -33.17 71.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.75 -48.51 57.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.915 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -57.01 -47.98 79.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.1 m170 -60.68 -48.16 83.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 16.1 mt-30 -65.06 -34.27 78.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.648 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.06 -48.42 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.03 -39.77 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 51' ' ' MET . 13.1 mt-10 -70.62 -47.75 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -73.49 -48.83 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' ' CZ ' ' A' ' 66' ' ' PHE . 20.0 tt0 -59.43 -35.88 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 14.6 ttt180 -71.19 -46.78 60.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 15.9 mtm -71.47 -51.47 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 ptm -72.9 -41.2 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.86 -48.82 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -78.11 -55.67 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -42.06 -22.51 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 97.19 58.85 1.0 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.916 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.5 p -50.7 -21.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.5 t 50.87 15.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.6 t 79.93 -43.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.43 -47.09 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.9 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -62.32 -33.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.916 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.37 -53.33 30.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -67.05 -27.47 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -50.03 44.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.65 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -78.91 -44.19 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 63' ' ' TYR . 10.0 mt -35.46 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 26.1 mm-40 -49.01 -22.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.551 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.2 mt-30 -75.33 161.47 76.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -138.32 -131.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 82.28 33.84 24.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 76.8 m-20 64.37 -74.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -165.22 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.658 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 38.9 p-10 -109.59 157.91 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -136.34 8.58 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.2 -36.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.658 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -67.44 159.42 29.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 63.8 m-85 -120.28 160.65 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 1.01 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.7 p -66.47 139.79 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.132 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -58.56 -26.59 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.623 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 1.1 mp0 -60.98 -27.8 68.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 81' ' ' SER . 8.4 m -61.39 -36.39 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.874 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -67.16 -42.67 88.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.0 t -58.13 -44.85 88.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.697 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.0 OUTLIER -63.5 -41.48 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.89 -37.13 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.29 -49.34 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -56.51 -44.64 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 87' ' ' ASN . 16.2 m -74.82 -20.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.643 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -81.35 -21.06 39.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.7 -45.0 1.15 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.869 HD12 HG12 ' A' ' 170' ' ' VAL . 1.6 pt? -90.47 166.99 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.472 ' HG2' ' HG3' ' A' ' 171' ' ' LYS . 18.5 pm0 -122.34 155.63 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.4 126.32 45.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.9 pp -136.65 159.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.884 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.64 135.19 55.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' O ' ' C ' ' A' ' 100' ' ' ASN . 13.9 t80 -87.32 -45.19 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.72 ' ND2' HD11 ' A' ' 98' ' ' LEU . 10.3 m-20 -27.88 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 2.0 t -23.38 107.07 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.49 20.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 12.9 mt-10 -68.93 -47.01 66.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.676 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.18 -46.82 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.44 -46.47 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -66.54 -38.46 87.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.744 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.34 -24.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt-85 131.38 60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.676 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.7 117.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -107.51 153.94 41.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.815 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.96 -40.58 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.621 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -80.7 -19.12 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 7.4 m-20 -63.36 -12.82 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.3 tp10 -96.35 175.25 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.663 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.2 OUTLIER -115.11 -22.13 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.76 114.38 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -118.02 141.75 48.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -117.92 135.8 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 167' ' ' ILE . 0.8 OUTLIER -126.91 147.26 50.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -131.46 126.53 35.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.89 108.1 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.98 -89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.5 tt0 -108.08 112.75 25.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.0 t-160 97.0 141.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 39.9 p-90 -128.96 164.88 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.685 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -128.85 152.82 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.626 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -107.88 126.72 53.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.588 HG22 ' ND2' ' A' ' 137' ' ' ASN . 8.9 t -107.78 121.56 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.34 151.53 35.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -80.18 123.62 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.674 HD22 ' CE2' ' A' ' 136' ' ' PHE . 1.3 tt -115.75 122.11 44.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.76 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 51.71 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 15.04 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -135.31 137.6 42.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.621 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 5.7 m95 -73.0 124.8 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.674 ' CE2' HD22 ' A' ' 131' ' ' LEU . 3.7 m-85 -115.41 138.48 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.588 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER -94.07 144.09 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.542 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -140.94 127.54 20.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 126' ' ' PHE . 10.0 t-20 175.68 -67.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.1 p 165.06 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.52 -19.31 64.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.01 -2.97 55.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.19 24.23 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.95 -176.18 25.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.44 4.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -46.78 158.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -102.29 124.01 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 153' ' ' LEU . 41.7 mt -114.39 112.78 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.28 149.71 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.537 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -55.02 -33.56 62.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.1 t -83.92 -17.48 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.467 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -85.16 -44.83 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.654 ' O ' HD22 ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.27 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.32 -42.42 88.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.04 -40.19 94.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.87 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -61.75 -52.08 65.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.991 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.66 -32.43 70.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 162' ' ' GLN . . . -69.89 -34.52 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -68.91 -50.53 48.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 1.121 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -67.86 -32.14 72.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 1.026 ' N ' HD13 ' A' ' 160' ' ' LEU . 1.9 mt-30 -63.62 -46.57 85.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 158' ' ' ALA . 1.7 mp0 -71.43 -30.28 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 2.1 mm-40 -70.0 -39.48 75.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.633 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.73 -96.22 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.06 130.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.703 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.1 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 1.121 HD11 HD11 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -112.19 139.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -124.42 119.52 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -86.07 122.41 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 94' ' ' LEU . 3.2 t -90.74 111.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 95' ' ' GLU . 4.5 ptpt -117.8 144.92 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 128.58 -150.08 18.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.59 ' O ' HD22 ' A' ' 94' ' ' LEU . 13.0 t0 -97.15 119.04 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.743 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -111.86 127.29 27.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.743 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.97 119.97 5.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -45.31 165.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 3.9 t -127.02 169.89 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.474 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.1 mt-10 -52.91 -42.48 65.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.412 ' HA ' HD23 ' A' ' 183' ' ' LEU . 12.9 t70 -58.28 -34.71 70.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.29 -37.99 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.85 -30.34 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.76 HD22 ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.95 -46.41 82.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 9' ' ' ILE . 31.6 mtp -52.93 -18.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.7 -34.31 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.591 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.98 58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.9 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.8 mt -96.13 122.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.9 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 156.56 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.635 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 3.5 t-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.3 pp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.643 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 p -116.33 174.09 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -56.42 -24.93 48.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.929 ' OE1' HD23 ' A' ' 24' ' ' LEU . 31.0 tp60 -46.84 -26.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -62.78 -49.1 76.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.536 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' LEU . 1.3 m -70.72 -31.96 68.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD22 HG13 ' A' ' 85' ' ' ILE . 48.5 tp -65.16 -46.14 82.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -63.52 -43.66 96.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.42 -24.91 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 116' ' ' SER . 6.4 tp -74.39 -47.48 33.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.682 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -69.1 -32.69 72.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 80.45 18.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.788 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -149.49 121.17 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.644 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -76.66 92.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.788 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -144.12 43.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.07 154.79 26.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -130.12 -178.9 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -48.25 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.76 -36.67 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 2.5 mt-10 -62.75 -43.96 97.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.38 -39.15 75.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.611 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -66.02 -45.66 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.7 p -68.27 -31.74 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.06 -49.29 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.4 -48.12 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 39' ' ' SER . 8.9 m170 -63.09 -48.02 80.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 17.8 mt-30 -61.84 -34.59 76.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -62.85 -48.0 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.77 -41.83 91.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.47 -43.61 59.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.2 OUTLIER -70.02 -53.5 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.707 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.4 mp0 -59.77 -39.14 83.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 23.8 ttt180 -61.87 -49.94 74.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.7 ptm -73.73 -43.91 57.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -56.61 -51.72 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 28.6 mtp -72.92 -50.99 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -55.57 -48.8 74.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' C ' ' N ' ' A' ' 57' ' ' GLY . 2.5 mt-10 -78.82 -56.51 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.12 -19.25 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 96.5 56.62 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.005 HG23 ' HB3' ' A' ' 62' ' ' ASP . 7.7 p -49.48 -22.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 0.714 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.3 t 51.54 13.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.371 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 58' ' ' VAL . 0.7 OUTLIER 80.76 -44.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -47.44 70.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 1.005 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.902 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -66.57 -53.32 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -27.34 68.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -49.77 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.48 -43.08 27.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mt -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.8 mm100 -48.69 -23.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-30 -72.15 160.75 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 83' ' ' GLN . 18.3 Cg_endo -74.99 131.9 14.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -97.79 -154.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 96.64 6.54 58.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.84 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.8 ptm 175.69 -172.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -93.72 -176.1 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -81.4 -59.32 2.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 78.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.74 -36.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -145.84 148.4 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.4 m-85 -119.65 157.95 27.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.975 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.3 t -67.45 150.57 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.27 -26.95 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.364 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.9 mt-30 -61.87 -26.75 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 81' ' ' SER . 4.7 m -60.62 -37.48 75.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.93 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.81 -36.48 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 30.6 t -64.52 -45.22 88.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.653 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -62.2 -39.52 93.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.81 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.33 -35.53 68.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.999 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -66.67 -50.05 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.5 ptmt -57.17 -46.76 82.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.4 m -72.52 -19.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.682 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.1 m95 -82.79 -21.13 34.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.82 -45.3 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.2 171.02 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.2 pt-20 -128.61 154.72 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 HG22 ' A' ' 170' ' ' VAL . 20.2 tp -125.14 130.84 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 169' ' ' VAL . 2.6 pp -134.18 159.47 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.692 HD11 ' OD1' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.35 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.948 ' HB2' HG13 ' A' ' 169' ' ' VAL . 18.4 t80 -89.04 -47.55 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.692 ' OD1' HD11 ' A' ' 98' ' ' LEU . 26.2 m120 -24.94 -49.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -21.6 104.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.03 20.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.16 -46.86 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.736 ' HB3' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.43 -47.54 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.685 ' HA ' HG22 ' A' ' 109' ' ' ILE . 1.3 mt-30 -55.16 -46.49 75.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -70.1 -30.94 68.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -67.99 -26.28 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 8.1 ptt-85 133.37 55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -127.54 121.09 56.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.19 154.72 40.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.96 -34.18 4.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.545 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.78 -29.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.7 m-20 -50.04 -23.69 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 4.6 mm-40 -94.21 134.15 36.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.1 OUTLIER -86.2 -5.74 59.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -147.14 103.9 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.953 ' CE1' HG12 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -114.44 158.27 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -128.73 139.41 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.43 143.87 51.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -132.24 124.98 30.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.93 108.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 37.76 -90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.6 tt0 -106.21 112.18 25.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.623 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.8 t-160 98.28 139.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.813 ' CH2' HD13 ' A' ' 85' ' ' ILE . 44.5 p-90 -129.2 164.59 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.743 ' CD1' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.24 155.21 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -108.22 123.53 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 117' ' ' PHE . 16.9 t -105.35 121.93 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.443 ' HE ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.25 160.57 26.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 4.9 ttpt -91.64 127.87 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.728 HD13 HG21 ' A' ' 9' ' ' ILE . 31.3 mt -119.17 122.21 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.38 -87.15 0.25 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -149.32 22.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 5.7 m95 -84.94 143.39 29.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 107.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.673 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 13.2 m-85 -143.77 136.41 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.6 p-10 -93.48 147.33 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -151.09 145.8 25.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 140' ' ' SER . 5.8 t30 175.51 -51.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.3 m 153.38 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -76.99 -30.03 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.826 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -84.1 -8.33 59.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.66 22.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.668 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.69 174.44 27.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -74.96 84.39 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.18 158.1 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -102.17 124.49 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.737 HD11 ' OD1' ' A' ' 137' ' ' ASN . 42.5 mt -119.81 114.97 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 145.12 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 112' ' ' ILE . 4.8 m-20 -54.69 -32.49 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -83.93 -19.61 34.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -87.26 -43.37 12.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.8 OUTLIER -54.04 -47.9 71.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.493 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.66 -44.22 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.07 -38.15 90.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.875 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.58 -51.92 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -58.26 -34.61 70.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.64 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.464 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.11 -48.34 82.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.943 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -68.11 -32.68 73.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.437 ' HB3' HE21 ' A' ' 161' ' ' GLN . 0.3 OUTLIER -66.42 -46.52 76.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.78 -28.88 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.22 -33.25 65.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.712 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -167.88 -98.26 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.712 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.29 112.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.045 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -174.08 70.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.943 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.7 mt -133.72 137.36 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -124.51 143.12 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.953 HG12 ' CE1' ' A' ' 117' ' ' PHE . 28.1 m -109.98 132.34 58.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.866 HG13 HD12 ' A' ' 89' ' ' LEU . 17.3 t -93.11 110.09 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.0 ptpt -113.06 144.92 41.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 121.77 -162.47 15.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.9 t0 -86.58 118.62 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.866 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.7 tm? -105.43 129.89 23.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.866 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.02 117.08 4.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.7 OUTLIER -60.88 152.0 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 7.7 p -116.71 -170.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.21 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.69 -33.8 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 183' ' ' LEU . 0.0 OUTLIER -58.15 -35.86 72.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -37.68 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.98 -27.26 69.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.52 -29.32 61.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.54 ' N ' HD23 ' A' ' 183' ' ' LEU . 6.4 mt-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.6 mtt -51.89 -15.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' SER . 44.0 mm-40 -66.98 -46.88 73.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -125.76 56.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.834 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -105.59 123.03 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 160.78 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.577 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.537 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 4.0 p -115.79 173.7 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.14 -24.88 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.897 HE21 HD23 ' A' ' 24' ' ' LEU . 1.3 tm0? -47.52 -31.53 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -56.83 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . 9.3 m -63.92 -33.9 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD23 HE21 ' A' ' 21' ' ' GLN . 17.7 tp -65.04 -46.12 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.582 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 83.2 m-20 -59.39 -42.08 90.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 2.0 m120 -74.75 -32.02 61.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 129' ' ' ARG . 6.3 tp -66.96 -47.57 71.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.818 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.36 -12.03 60.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 88.32 -14.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -152.71 146.23 14.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -61.02 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 68.76 35.07 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.841 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.63 154.85 25.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -128.58 179.36 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.08 -44.07 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.85 -42.03 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 40' ' ' SER . 19.0 mt-10 -62.92 -40.33 97.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 21' ' ' GLN . 3.2 tp -61.83 -44.51 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 t -62.49 -38.73 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -74.2 -31.05 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.4 tt -71.86 -42.66 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.05 -47.37 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.5 m170 -61.27 -47.95 83.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLU . 28.7 mm-40 -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.014 HD12 ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.77 -46.47 85.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 6.0 t0 -60.2 -44.55 95.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.3 mt-10 -73.35 -46.71 47.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.3 tt0 -67.33 -53.4 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 1.014 ' HG3' HD12 ' A' ' 45' ' ' LEU . 5.6 mt-10 -59.7 -38.95 83.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.7 ttt180 -60.85 -49.3 78.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.1 ptm -73.35 -43.34 60.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 51' ' ' MET . 1.3 ttt180 -61.49 -47.89 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' VAL . 5.4 ptm -72.56 -42.74 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.2 -48.8 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -77.48 -54.06 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.82 -20.26 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 99.16 60.1 0.88 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.877 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -45.55 -25.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.1 t 51.88 16.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 58' ' ' VAL . 8.3 t 75.4 -50.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -53.34 -47.16 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 58' ' ' VAL . 2.1 m-20 -60.04 -33.33 71.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.877 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.3 -53.6 34.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.633 ' HD2' HD12 ' A' ' 67' ' ' LEU . 9.1 mmm180 -67.12 -27.12 67.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -50.44 51.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.95 -43.05 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 64' ' ' ARG . 13.1 mt -37.89 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' PHE . 38.8 mm-40 -50.04 -20.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.9 mm-40 -74.51 161.06 79.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -97.19 -170.81 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.07 -12.3 31.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.1 m-20 74.96 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.523 ' HE3' ' CD2' ' A' ' 80' ' ' PHE . 9.3 ptm 168.79 -172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.9 t0 -93.26 -175.96 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.49 -55.59 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.03 72.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.92 -37.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -143.35 145.23 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.5 m-85 -119.41 159.08 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -67.46 143.16 56.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.138 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -56.14 -27.7 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.7 mt-30 -62.95 -24.67 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.808 ' CG2' HG22 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -60.83 -41.31 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.83 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.23 -43.22 98.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.0 -45.11 96.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.841 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.94 -32.73 69.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.31 -51.56 56.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.734 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.07 -46.34 82.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.5 m -70.38 -20.95 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.818 ' CE2' HD23 ' A' ' 28' ' ' LEU . 1.7 m95 -83.07 -21.29 33.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.46 -53.04 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -89.5 166.15 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.33 161.17 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.751 ' HB2' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.22 125.61 44.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.47 159.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.898 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.95 138.15 58.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.9 t80 -90.39 -44.88 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.813 HD21 ' N ' ' A' ' 166' ' ' SER . 83.0 m-20 -30.19 -43.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -24.9 109.05 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.43 20.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.6 mt-10 -69.4 -47.07 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.678 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.17 -47.04 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.5 -46.47 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.38 -38.41 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.61 -24.76 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.5 ptt180 131.09 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.678 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 118.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER -107.32 154.32 40.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.97 -40.9 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 154' ' ' ALA . 0.0 OUTLIER -77.4 -33.58 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 110' ' ' ASP . 3.1 m-20 -44.65 -26.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -111.2 1.29 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.02 100.27 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.3 OUTLIER -118.63 154.93 31.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mt -126.36 140.2 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 39.3 t -124.11 144.48 49.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 108.339 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 3.3 t-20 -129.8 122.95 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.619 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -109.55 108.99 19.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.34 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -108.88 -73.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 143.51 52.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.893 ' CH2' HD13 ' A' ' 85' ' ' ILE . 51.0 p-90 -127.91 164.73 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -128.95 162.48 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.047 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.42 126.94 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.439 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 117' ' ' PHE . 42.5 t -106.11 124.23 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.787 ' HG3' HD12 ' A' ' 27' ' ' LEU . 1.2 tmm_? -126.72 148.31 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.519 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.7 tttt -72.45 122.3 21.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.68 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 8.3 mt -119.66 122.14 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.81 -104.38 1.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.69 12.17 6.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.569 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 7.2 mm-40 -137.9 161.05 37.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 115' ' ' ARG . 3.2 m95 -83.67 142.27 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.68 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 9.4 m-85 -139.97 143.36 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.867 ' ND2' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -90.1 147.27 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -138.54 131.5 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.611 ' HB3' HD23 ' A' ' 141' ' ' LEU . 22.9 t-20 178.8 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.72 -28.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -68.39 -23.68 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.83 -0.99 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.92 24.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.627 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 145.63 174.55 17.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.436 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.03 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 142.07 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -83.49 125.2 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.867 HD11 ' ND2' ' A' ' 137' ' ' ASN . 48.7 mt -115.38 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.35 149.78 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.426 ' OD1' HG13 ' A' ' 112' ' ' ILE . 4.2 t70 -56.42 -31.82 64.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.39 -11.06 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -99.84 -45.77 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.9 OUTLIER -54.29 -48.11 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.62 -43.66 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.7 -37.24 86.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.38 -51.91 57.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.693 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.17 -34.21 71.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.21 87.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.14 -48.69 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.07 -37.86 86.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.351 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.449 HE21 ' HB3' ' A' ' 161' ' ' GLN . 0.3 OUTLIER -61.98 -46.35 89.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -70.74 -27.77 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -30.02 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.707 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.61 -95.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.707 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.94 119.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.98 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.813 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -178.09 68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.913 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.3 mt -134.9 136.73 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.138 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.45 134.6 53.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.867 HG23 ' CE1' ' A' ' 117' ' ' PHE . 1.8 p -102.09 123.92 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.778 HG12 HD22 ' A' ' 94' ' ' LEU . 4.5 t -86.74 110.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -115.06 143.29 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 129.3 -162.57 22.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.623 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 2.7 m-20 -82.58 119.25 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -111.09 134.43 21.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.779 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.5 Cg_endo -74.93 -161.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -143.26 151.34 40.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.82 -166.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.22 -40.52 64.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 131' ' ' LEU . . . -55.69 -33.66 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.5 t70 -58.22 -48.67 79.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.42 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 5' ' ' SER . 1.6 tp -61.99 -40.1 94.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.5 OUTLIER -66.21 -49.59 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.556 ' N ' HD13 ' A' ' 183' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 86.4 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.753 ' HG2' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -54.02 -12.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 5' ' ' SER . 8.9 mt-10 -60.39 -40.56 91.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' CD2' ' A' ' 182' ' ' LEU . 7.9 t -129.18 42.23 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.753 HD12 ' HG2' ' A' ' 6' ' ' MET . 1.9 mt -85.95 123.67 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 153.05 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.477 ' CE1' ' H ' ' A' ' 30' ' ' GLY . 3.1 t60 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.7 pt? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.3 m -114.86 175.12 5.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.759 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.06 -22.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.969 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -45.39 -32.32 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 8.9 p-80 -60.93 -52.83 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 2.9 t -60.63 -44.38 96.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.899 HD22 HG13 ' A' ' 85' ' ' ILE . 61.6 tp -56.45 -42.82 78.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.662 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 24.8 m120 -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.77 -30.26 66.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.19 -45.14 58.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -78.36 -31.04 48.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 177' ' ' CYS . 0.5 OUTLIER 66.08 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.808 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 112.06 0.29 26.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 1.7 pt-20 37.55 -102.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.808 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 26.4 m-85 88.51 -29.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 38' ' ' LEU . 4.1 p90 -110.82 138.21 47.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.645 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -88.58 -174.29 0.46 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.671 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.02 -34.09 4.06 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.08 -42.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 10.0 mt-10 -58.71 -36.53 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.969 HD22 ' HB2' ' A' ' 21' ' ' GLN . 1.9 tp -63.63 -45.09 91.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.31 -46.31 86.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -30.09 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -71.02 -50.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.931 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.47 -48.2 74.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 11.5 m170 -63.89 -44.57 92.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.5 mm-40 -65.79 -33.97 77.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -63.27 -48.04 79.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.562 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -74.14 -47.11 38.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.27 -51.38 38.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.695 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.4 tp10 -59.46 -43.17 93.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 8.9 ttm180 -59.56 -49.14 78.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.4 ptm -73.02 -44.68 60.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.4 tpp180 -59.97 -48.62 80.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.0 ptm -72.31 -39.6 68.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.54 -48.18 67.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -79.87 -33.69 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.05 -15.58 60.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 93.29 55.33 1.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.99 HG23 ' HB3' ' A' ' 62' ' ' ASP . 5.9 p -51.74 -17.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 3.0 t 49.18 16.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 m 76.32 -43.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 59' ' ' THR . 2.0 mm-40 -54.65 -46.89 74.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.99 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.84 -33.36 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.884 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -63.94 -53.48 49.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.5 mmm180 -66.84 -26.98 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -50.21 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.88 -39.76 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 64' ' ' ARG . 12.4 mt -42.0 -26.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' C ' ' A' ' 66' ' ' PHE . 32.6 mm-40 -54.59 -20.52 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.599 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.8 mm-40 -65.63 160.45 60.52 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 71' ' ' SER . 18.2 Cg_endo -74.97 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.586 ' C ' ' O ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -23.91 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.51 -22.01 32.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 74' ' ' MET . 11.1 m-80 -88.06 16.12 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.633 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 13.1 ptm 49.59 167.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 8.7 t0 -110.67 -175.69 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -125.84 -37.83 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -44.66 -55.76 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.549 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 167.85 56.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.95 124.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.712 ' CD2' HD23 ' A' ' 38' ' ' LEU . 80.0 m-85 -95.05 156.42 16.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.862 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -67.86 140.73 56.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.053 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -56.01 -27.71 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 11.1 mt-30 -62.25 -24.53 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.931 HG12 ' HB2' ' A' ' 42' ' ' ALA . 4.6 m -60.75 -40.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -62.43 -40.5 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 3.4 t -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.849 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -39.88 91.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.05 -35.2 66.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -67.32 -50.47 59.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 87' ' ' ASN . 8.1 m -72.32 -20.87 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.745 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.1 m95 -82.54 -20.76 35.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.36 -40.87 1.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.92 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.8 OUTLIER -90.5 168.69 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 171' ' ' LYS . 5.0 pt-20 -127.98 154.57 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.63 HD11 ' CB ' ' A' ' 168' ' ' PHE . 15.0 tp -124.72 140.55 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.455 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -147.47 159.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.661 HD21 ' ND2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.51 142.86 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 9.9 t80 -93.62 -37.46 11.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.876 HD21 ' N ' ' A' ' 166' ' ' SER . 66.2 m-20 -36.81 -38.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -32.02 111.9 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.92 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.3 mt-10 -74.99 -46.8 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.628 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -66.02 -45.28 82.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.35 -46.88 76.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -67.42 -34.95 78.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -68.07 -24.83 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.4 ptm180 131.83 60.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.628 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.91 118.95 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.45 153.86 40.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.764 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -28.56 9.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.68 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.27 -18.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.6 t-20 -11.27 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.2 tt0 -38.57 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER 178.69 -83.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 129' ' ' ARG . 17.0 m 179.41 133.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.887 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -124.75 158.62 32.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 126' ' ' PHE . 4.5 mt -130.13 142.88 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 33.9 m -127.57 144.53 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.2 t-20 -129.68 124.69 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -112.2 109.1 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 55.24 -85.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -109.5 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.74 141.1 57.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.614 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.804 ' HZ3' HG23 ' A' ' 127' ' ' THR . 59.2 p-90 -129.1 165.29 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.719 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.24 159.39 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.804 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -116.56 124.47 49.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 117' ' ' PHE . 3.6 t -107.46 123.94 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.457 ' HA ' ' OG ' ' A' ' 116' ' ' SER . 1.9 tmm_? -122.13 144.15 49.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -86.45 116.12 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.968 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.4 OUTLIER -101.22 120.18 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.469 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 65.83 -85.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.71 28.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.631 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 9.9 mm-40 -140.16 158.38 44.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.631 ' CZ3' ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -101.58 121.41 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.012 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 2.0 m-85 -122.01 134.64 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' ND2' HG22 ' A' ' 128' ' ' VAL . 1.0 OUTLIER -85.93 143.09 28.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -146.28 137.34 24.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.595 ' HB3' HD23 ' A' ' 141' ' ' LEU . 7.5 t-20 175.16 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.7 m 151.44 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -78.31 -12.99 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.713 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -104.85 -7.58 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.62 23.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.617 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 165.61 173.38 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.73 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 133.15 55.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.602 HD13 ' CE2' ' A' ' 136' ' ' PHE . 25.1 tp -89.82 131.2 35.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 10.0 mt -105.05 151.18 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.3 OUTLIER -89.89 151.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.611 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -57.82 -39.83 78.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 5.9 t -83.61 -8.59 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -98.03 -48.8 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.84 -48.26 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.02 -43.28 88.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.2 -35.27 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.57 -50.55 66.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.635 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.2 mt -61.11 -34.67 75.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.01 93.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.573 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.71 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.917 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.528 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.2 mt-30 -64.71 -46.46 82.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -71.01 -26.74 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.48 -31.2 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.674 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.01 -100.24 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.674 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 159.71 111.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.876 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -173.83 73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.917 ' CG1' HD11 ' A' ' 160' ' ' LEU . 3.8 mt -134.93 130.99 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.053 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -118.61 136.97 53.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.887 HG23 ' CE1' ' A' ' 117' ' ' PHE . 2.1 p -109.48 132.12 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.73 HG13 HD12 ' A' ' 89' ' ' LEU . 3.9 t -86.92 117.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -122.04 137.74 54.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.499 ' N ' HH12 ' A' ' 115' ' ' ARG . . . 132.39 -150.03 19.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.92 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.4 m-20 -95.36 126.16 40.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -101.36 129.87 26.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.1 Cg_endo -75.0 143.41 29.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.26 -177.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 27.5 p -176.73 169.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 0.5 OUTLIER -53.29 -41.46 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.39 -34.59 70.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.608 ' O ' HD23 ' A' ' 183' ' ' LEU . 6.3 t70 -58.16 -44.06 87.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 4.4 pt20 -78.3 -26.23 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 5' ' ' SER . 2.4 tp -68.14 -30.56 69.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 180' ' ' ASP . 1.1 pp -56.99 -43.09 81.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.567 ' HB2' HD12 ' A' ' 183' ' ' LEU . 8.8 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.76 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.8 ttm -58.33 -11.64 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.808 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -130.7 53.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 110.036 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.6 mt -86.84 123.08 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.0 p90 163.62 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.499 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 10.4 t-160 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.0 pp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.6 p -115.74 175.16 5.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.28 -23.69 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.665 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.79 -38.48 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -60.24 -43.89 95.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.8 m -64.48 -33.17 75.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD11 HG13 ' A' ' 85' ' ' ILE . 5.1 mt -62.24 -46.49 88.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 26.6 m-20 -61.98 -42.34 99.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 129' ' ' ARG . 1.2 t30 -74.96 -35.03 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 23' ' ' CYS . 2.2 tp -75.13 -48.32 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 92' ' ' TRP . 97.7 mt -73.51 -20.13 60.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 77.62 17.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -151.04 124.72 1.75 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 25' ' ' ASN . 8.4 pt-20 -84.07 55.49 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -108.16 52.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -156.92 152.7 27.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.9 OUTLIER -132.21 -179.3 1.02 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.614 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.25 -41.39 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.03 -40.77 98.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.2 tp -64.61 -42.49 95.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -58.88 -45.77 89.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -29.99 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -69.88 -44.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.001 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.0 m170 -64.11 -44.94 90.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 mt-30 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -59.62 -44.47 93.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -60.48 -43.91 96.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.2 mt-10 -73.22 -47.48 43.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -68.88 -51.1 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.7 tm-20 -59.74 -39.09 83.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 30.3 ttt180 -62.93 -48.74 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.0 ptm -72.56 -45.88 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -57.73 -48.77 78.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.954 ' HE2' HG21 ' A' ' 58' ' ' VAL . 7.7 ptm -72.63 -39.84 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.94 -48.29 71.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.6 mm-40 -80.65 -55.15 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.25 -21.89 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 93.78 56.87 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.954 HG21 ' HE2' ' A' ' 53' ' ' MET . 7.1 p -54.57 -17.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.3 t 51.34 15.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.567 ' H ' HG13 ' A' ' 58' ' ' VAL . 1.1 t 75.37 -43.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' THR . 7.9 mt-10 -53.39 -46.45 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.93 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.81 -33.19 75.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.882 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.31 -54.15 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -67.35 -32.03 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -50.57 73.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.699 ' HD1' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.74 -31.78 41.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -41.02 -28.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.8 mm100 -50.1 -20.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.602 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -74.94 159.49 82.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 -149.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 88.15 12.61 65.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.54 -72.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.517 ' HE1' ' CE1' ' A' ' 80' ' ' PHE . 18.2 ptm 172.77 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.6 t0 -85.77 -175.83 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -83.27 -55.42 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.94 80.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.1 -33.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -141.9 145.01 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.686 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 90.7 m-85 -119.16 157.38 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.843 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.7 p -67.24 140.05 57.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.139 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -55.95 -26.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.617 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -61.23 -24.84 66.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.001 HG12 ' HB2' ' A' ' 42' ' ' ALA . 5.6 m -60.96 -35.42 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.924 HG13 HD11 ' A' ' 24' ' ' LEU . 1.4 mp -65.57 -43.98 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 t -59.38 -44.98 92.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.902 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -61.04 -43.01 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.43 -36.05 68.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.98 HD13 HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -68.25 -50.01 56.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.3 -42.23 81.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 87' ' ' ASN . 10.4 m -75.75 -21.22 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.84 -20.57 38.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.975 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.31 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 89' ' ' LEU . 1.2 pt? -90.35 166.19 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.1 pt-20 -127.07 155.33 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 168' ' ' PHE . 21.2 tp -124.76 138.84 54.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -142.84 159.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.13 131.42 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 19.8 t80 -83.12 -45.66 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.788 HD21 ' N ' ' A' ' 166' ' ' SER . 61.8 m-20 -30.67 -42.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 5.5 t -28.31 108.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.05 21.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 4.7 mt-10 -66.11 -47.91 72.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.708 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.7 m-85 -70.09 -47.6 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.72 -46.28 77.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -65.28 -40.65 94.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.04 -25.09 67.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.6 ptt180 130.78 60.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.708 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -127.1 118.18 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.483 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 3.1 m-20 -107.24 152.39 41.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -75.0 -36.29 2.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.63 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.72 -28.94 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.9 m-20 -52.08 -20.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.66 ' HG3' HG22 ' A' ' 169' ' ' VAL . 1.1 mm-40 -92.58 171.54 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -126.33 2.47 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 9.4 t -153.12 96.62 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.125 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.4 OUTLIER -115.51 158.98 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.645 HG21 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -130.01 139.26 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.46 ' SG ' HG21 ' A' ' 128' ' ' VAL . 5.7 m -115.45 147.53 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.54 118.01 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -111.71 135.02 52.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 121' ' ' TYR . 17.1 mtmt 33.64 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tp10 -109.34 -59.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -68.08 146.59 53.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.4 p-90 -128.64 164.17 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 1.005 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 11.0 m-85 -129.39 162.58 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 125.85 54.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 117' ' ' PHE . 17.1 t -105.32 122.45 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.454 ' NH2' ' SG ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -120.62 153.87 36.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 126.59 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.802 HD12 ' CB ' ' A' ' 136' ' ' PHE . 7.9 mt -118.61 121.99 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.39 -98.57 0.59 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -136.88 17.31 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.427 ' OE1' ' OD1' ' A' ' 150' ' ' ASP . 8.3 mm100 -133.62 160.14 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.63 ' NE1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -89.53 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 5.7 m-85 -135.17 142.12 46.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.776 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -84.83 135.22 34.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.69 117.98 24.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 141' ' ' LEU . 1.5 p30 177.58 -172.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.3 t -108.44 32.12 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.959 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 1.005 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 2.0 tp -103.19 -42.46 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.843 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -102.23 -7.49 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.62 23.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.421 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -161.06 146.16 11.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.02 3.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -47.48 108.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -60.0 123.72 17.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.776 HD11 ' OD1' ' A' ' 137' ' ' ASN . 70.3 mt -104.67 124.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.98 147.0 54.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.496 ' O ' HG21 ' A' ' 112' ' ' ILE . 2.6 m-20 -56.35 -32.55 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.68 -14.48 51.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -95.42 -46.56 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.88 -48.35 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.31 -41.14 90.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -64.64 -35.6 81.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.731 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -65.02 -51.64 60.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 160' ' ' LEU . 6.8 mt -60.54 -34.65 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.07 94.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.549 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.69 -48.64 80.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.95 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.92 -35.14 77.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -64.66 -46.42 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -70.94 -27.64 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -73.59 -31.98 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.701 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -173.85 -97.49 0.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.18 119.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.987 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.788 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER -177.36 67.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.95 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -134.73 141.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.139 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -122.38 136.3 54.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 1.125 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -103.7 123.73 57.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 94' ' ' LEU . 3.0 t -87.9 112.93 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.71 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -121.2 135.19 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.92 -154.84 23.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.714 ' O ' HD22 ' A' ' 94' ' ' LEU . 69.6 m-20 -88.06 119.76 28.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -106.08 130.96 22.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.98 152.47 40.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.61 152.49 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.454 ' SG ' ' NH2' ' A' ' 129' ' ' ARG . 23.3 p -133.07 -173.02 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.73 -38.39 64.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.621 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.65 -34.73 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 0.7 OUTLIER -58.16 -36.28 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -80.5 -31.64 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.808 HD11 ' O ' ' A' ' 8' ' ' SER . 92.1 mt -60.27 -41.93 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -57.01 -47.4 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.815 ' HB2' HD12 ' A' ' 183' ' ' LEU . 3.9 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.727 ' O ' HD13 ' A' ' 182' ' ' LEU . 99.5 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.774 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.6 ttt -69.79 -1.55 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -75.87 -30.24 58.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.842 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -131.16 47.7 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -93.89 123.38 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.703 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 167.08 -143.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.618 ' O ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.679 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 1.4 pp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.679 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 30.4 p -116.58 173.87 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.775 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -58.71 -24.98 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.604 ' OE1' ' ND2' ' A' ' 25' ' ' ASN . 1.4 tm0? -47.34 -45.41 24.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 51.7 m-70 -53.98 -41.28 67.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -39.36 81.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 HG13 ' A' ' 85' ' ' ILE . 8.6 tp -67.31 -41.18 85.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.604 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 2.0 m-20 -59.32 -46.52 88.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.0 m-20 -69.97 -27.56 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -46.55 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 92' ' ' TRP . 35.8 mt -81.92 -11.23 59.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER 69.62 -56.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.718 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.57 122.85 23.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.617 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.8 tt0 -83.26 81.57 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.718 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 -129.73 46.78 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -159.56 154.95 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -132.43 -178.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.641 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.34 -35.59 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 36.7 mt-10 -57.95 -41.91 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 84' ' ' VAL . 7.3 mt -63.01 -35.64 80.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 25.2 p -64.92 -45.71 84.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -33.24 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.85 -51.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.809 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -55.88 -47.22 77.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 39' ' ' SER . 17.2 m170 -59.46 -48.08 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.666 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.35 -34.13 67.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.083 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 -47.96 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -60.65 -44.5 96.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.32 -47.9 31.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -63.1 -45.9 89.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CD ' ' CE2' ' A' ' 66' ' ' PHE . 29.4 tt0 -65.11 -45.74 83.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.05 -48.21 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.569 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 25.9 ptm -72.39 -39.77 67.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.01 -51.39 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.695 ' HE1' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -72.83 -50.49 23.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.81 78.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -71.73 -58.17 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.15 -16.63 1.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 105.75 -33.84 6.21 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' HD1' ' A' ' 63' ' ' TYR . 7.4 p 48.43 14.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER 33.67 23.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.706 ' N ' ' O ' ' A' ' 58' ' ' VAL . 1.4 t 63.47 -53.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 59' ' ' THR . 5.7 mm-40 -53.27 -47.72 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.732 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -56.9 -33.23 66.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.811 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -62.35 -53.18 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.2 -27.01 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -50.78 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.695 ' CD1' ' HE1' ' A' ' 53' ' ' MET . 0.5 OUTLIER -79.6 -42.57 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.8 mt -37.34 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.5 mm100 -50.03 -21.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.3 mt-30 -72.7 162.43 74.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.2 Cg_endo -75.0 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -151.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 85.83 15.2 65.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 74' ' ' MET . 5.3 m-20 65.29 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 25.7 ptm 173.11 174.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 9.6 m-20 -110.65 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -146.17 27.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 t -107.98 8.59 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.16 41.73 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -159.46 137.03 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 111.014 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 62.5 m-85 -118.38 159.16 23.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.959 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.33 144.86 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.149 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -65.91 -26.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.801 ' HB3' HD11 ' A' ' 45' ' ' LEU . 1.5 mt-30 -60.84 -26.07 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 81' ' ' SER . 5.7 m -61.12 -42.08 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.845 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.93 -42.47 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 34.9 t -56.55 -45.42 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.705 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 m120 -65.55 -36.95 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.64 -35.41 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.725 HD13 HD11 ' A' ' 94' ' ' LEU . 1.8 mt -67.52 -50.5 58.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.99 -46.48 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.5 m -71.56 -21.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.97 -20.99 37.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.83 -40.01 1.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.8 168.73 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 171' ' ' LYS . 1.7 pt-20 -123.0 154.3 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.581 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.75 125.95 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.5 pp -137.1 158.65 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.358 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.909 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.94 124.12 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' A' ' 167' ' ' ILE . 1.2 t80 -73.0 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.909 ' HB2' HD23 ' A' ' 98' ' ' LEU . 33.3 m-20 -32.37 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.3 OUTLIER 6.57 105.55 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.942 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.51 21.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.762 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 11.8 tt0 -72.57 -46.4 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.672 ' O ' HD13 ' A' ' 109' ' ' ILE . 4.0 m-85 -69.94 -46.14 65.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 101' ' ' SER . 77.5 mm-40 -53.88 -47.13 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -35.13 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.748 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -63.48 -25.3 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.748 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.0 mtt-85 130.94 55.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.3 mp -126.83 121.93 59.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -106.46 154.71 39.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.04 -43.63 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -73.62 -24.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.559 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -64.05 -13.8 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.49 ' CG ' HG22 ' A' ' 169' ' ' VAL . 6.8 tp10 -87.27 126.43 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.44 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 3.8 tmt_? -66.43 -34.63 78.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.1 OUTLIER -141.14 113.2 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.119 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.76 152.19 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.746 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mt -125.7 144.6 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.59 145.63 50.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.512 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.8 t-20 -129.6 124.87 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.653 ' CE1' ' HE3' ' A' ' 122' ' ' LYS . 11.2 t80 -113.69 115.57 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.653 ' HE3' ' CE1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 52.27 -89.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.6 tt0 -109.08 -61.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' ' OD1' ' A' ' 139' ' ' ASN . 17.5 t-160 -68.07 142.54 55.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.845 ' CH2' HD13 ' A' ' 85' ' ' ILE . 49.1 p-90 -128.32 164.37 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.622 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.4 m-85 -129.11 162.58 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.629 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -117.93 133.2 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.119 HG21 ' CE2' ' A' ' 117' ' ' PHE . 25.1 t -115.75 126.72 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.48 146.95 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 101.46 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.714 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -94.05 122.45 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.504 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.74 -92.74 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.38 20.19 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.523 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 14.1 mm-40 -141.08 160.8 39.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -88.71 133.27 34.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.714 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 2.3 m-85 -129.46 134.28 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.658 ' HB2' HD11 ' A' ' 148' ' ' ILE . 4.1 t-20 -94.0 129.27 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.727 ' HA ' HD21 ' A' ' 142' ' ' LEU . 1.3 mt -139.02 146.47 40.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.656 ' O ' ' CB ' ' A' ' 140' ' ' SER . 15.1 t-20 173.99 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.6 m 145.63 1.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.622 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -89.91 -33.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.754 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -95.04 -6.31 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.19 24.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 174.3 158.03 17.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.2 6.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 133.93 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.553 ' CD2' ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -79.59 123.45 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 137' ' ' ASN . 66.9 mt -104.8 139.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 154.19 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.594 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -56.07 -39.23 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 4.1 t -83.53 -2.7 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -53.87 -48.09 70.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.38 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.95 -36.55 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.794 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.37 -51.78 61.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.86 -34.68 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 162' ' ' GLN . . . -64.87 -42.97 94.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.525 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.56 -48.61 81.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -67.73 -34.29 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.2 mt-30 -66.31 -46.39 77.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 158' ' ' ALA . 50.0 mm-40 -70.78 -27.84 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.23 -33.5 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.702 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.3 -96.62 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.702 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.71 122.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.533 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 175.73 72.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.947 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 15.4 mt -134.66 127.05 48.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.149 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.1 m-85 -114.14 128.0 56.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -98.67 126.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -87.53 111.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.531 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -120.93 137.6 54.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 137.95 -153.77 22.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.859 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.3 m-20 -90.71 120.14 31.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.548 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.5 tm? -103.27 127.65 29.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.548 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 148.81 35.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.75 159.86 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 20.1 p -144.57 169.05 18.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.2 mm-40 -54.17 -42.63 69.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.41 -36.92 69.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 183' ' ' LEU . 33.0 t70 -58.03 -38.7 76.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 184' ' ' GLN . 1.8 mt-30 -77.36 -29.73 53.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 8' ' ' SER . 95.5 mt -64.98 -35.92 82.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.894 HD12 ' HG3' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -56.54 -46.58 80.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.894 ' HG3' HD12 ' A' ' 183' ' ' LEU . 37.7 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.734 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.8 -17.68 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.13 -31.73 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.599 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.9 OUTLIER -151.83 54.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -91.14 124.09 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 154.05 -168.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.605 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.632 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.924 ' N ' HD12 ' A' ' 18' ' ' LEU . 78.2 m -115.99 173.74 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.725 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.04 -24.33 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.66 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.73 -45.29 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.614 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 14.7 m-70 -54.1 -48.17 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.38 -32.59 74.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 85' ' ' ILE . 23.3 tp -66.76 -44.41 81.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 15.2 m-20 -60.53 -42.27 96.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 3.6 m-80 -74.9 -31.09 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -73.53 -42.92 61.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.854 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -72.02 -3.07 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 82.63 -6.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -166.29 160.08 33.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.541 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -75.13 -104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 69.07 12.6 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -136.96 145.24 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.499 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.27 173.07 3.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.602 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.81 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.43 -35.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -61.4 -46.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.5 mt -57.0 -45.38 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.483 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -59.48 -45.69 90.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.12 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.61 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -70.04 -47.06 70.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.983 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.31 -47.51 78.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 12.2 m170 -68.61 -42.88 77.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -65.74 -42.64 90.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -45.29 94.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -74.27 -44.14 54.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 31.8 tt0 -67.57 -45.81 74.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 66.6 mm-40 -62.28 -44.93 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 45.5 ttt180 -58.47 -48.91 79.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 26.8 ptm -72.96 -44.98 60.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -58.91 -48.3 81.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.2 ptm -72.53 -40.94 66.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -61.72 -48.56 80.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -83.33 -33.63 25.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -63.91 -10.21 37.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 85.44 48.6 4.71 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.846 ' O ' HG22 ' A' ' 59' ' ' THR . 2.7 p -43.3 -25.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 58' ' ' VAL . 13.0 t 53.46 14.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.7 t 77.87 -43.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' THR . 41.8 mm-40 -53.29 -47.62 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -65.44 -32.9 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.725 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.98 -53.17 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -65.45 -27.39 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -49.7 49.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.44 -43.57 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.0 mt -37.39 -31.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.478 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.5 mm100 -49.29 -23.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -69.19 166.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.01 129.69 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -157.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.07 10.66 74.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 81.9 m-20 64.78 -68.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.8 ptm 175.45 175.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 32.7 t0 -110.81 173.83 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -140.59 16.96 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 t -100.38 -1.19 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 125.1 48.48 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.83 121.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 26.4 m-85 -99.45 159.88 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.977 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.69 139.39 57.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.099 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.55 -26.68 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.69 ' OE1' HG22 ' A' ' 82' ' ' ILE . 3.9 mp0 -60.46 -28.13 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.977 HG22 ' O ' ' A' ' 81' ' ' SER . 4.9 m -61.45 -35.34 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.993 HG23 HD13 ' A' ' 24' ' ' LEU . 1.1 mm -65.73 -46.79 88.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 40.0 t -55.78 -45.66 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.7 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.0 m-80 -62.86 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.65 -35.35 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.927 HD13 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -67.81 -50.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.1 -46.6 82.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.5 m -71.21 -22.39 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.854 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.2 m95 -80.48 -21.38 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.69 -37.53 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.83 166.52 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' LYS . 9.9 pm0 -122.02 152.35 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.824 HD13 HG22 ' A' ' 170' ' ' VAL . 64.4 tp -124.89 136.23 53.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.636 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.6 pp -146.37 158.22 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.1 OUTLIER -65.36 133.7 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB2' HG23 ' A' ' 169' ' ' VAL . 11.5 t80 -82.81 -42.92 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.692 ' O ' ' C ' ' A' ' 101' ' ' SER . 2.7 m-20 -29.1 -60.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -4.74 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.86 19.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.5 tt0 -70.07 -46.91 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.697 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.0 m-30 -66.91 -46.15 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -55.45 -46.84 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -39.42 93.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -65.53 -24.91 67.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptt85 130.68 61.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.697 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.94 118.52 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.71 154.07 40.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.721 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.01 -39.01 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.71 -18.9 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.0 m-20 -64.83 -10.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.786 ' HG2' HG22 ' A' ' 169' ' ' VAL . 13.6 tp10 -89.67 155.08 19.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -100.96 -3.62 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.2 OUTLIER -173.31 108.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 1.053 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.38 158.36 21.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 82' ' ' ILE . 2.0 mt -123.03 144.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -125.11 140.46 52.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 108.313 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -130.08 126.89 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -113.97 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.93 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -108.76 -74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -59.28 140.17 56.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.725 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.0 p-90 -128.69 164.65 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.5 162.71 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.678 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -114.63 131.82 56.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.053 HG21 ' CE2' ' A' ' 117' ' ' PHE . 13.8 t -117.57 121.23 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.734 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.13 153.38 46.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.551 ' HE3' ' CD1' ' A' ' 135' ' ' TRP . 6.7 mtpt -79.04 103.46 9.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -89.11 122.41 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.585 ' N ' HD22 ' A' ' 131' ' ' LEU . . . 68.85 -79.2 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 23.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 21.2 mm100 -141.06 158.79 43.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -80.97 115.92 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.814 ' HE1' HD13 ' A' ' 147' ' ' LEU . 3.2 m-85 -118.27 138.24 52.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.408 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -86.48 146.81 26.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.6 123.91 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 142' ' ' LEU . 0.8 OUTLIER 167.44 -174.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.8 t -93.73 11.6 28.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.4 tp -88.89 -41.62 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.26 -10.67 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 50.07 19.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.593 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 177.46 170.14 39.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.3 134.97 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.814 HD13 ' HE1' ' A' ' 136' ' ' PHE . 9.5 tp -87.07 125.49 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 147' ' ' LEU . 15.5 mt -104.6 140.38 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.42 151.04 26.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.65 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -55.0 -39.14 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 8.5 t -83.62 -16.5 45.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.48 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -85.61 -47.79 9.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 112' ' ' ILE . 0.9 OUTLIER -54.22 -48.11 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.63 -40.77 98.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -61.16 -52.22 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 1.025 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.04 -32.6 71.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.79 78.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -68.55 -50.48 51.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 1.053 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.63 -32.29 73.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.986 ' N ' HD13 ' A' ' 160' ' ' LEU . 2.7 mt-30 -64.02 -46.59 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -29.43 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.9 mm-40 -71.08 -41.77 70.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.604 ' O ' ' CG ' ' A' ' 165' ' ' TYR . . . -168.08 -96.08 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.604 ' CG ' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 158.17 127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.659 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.54 58.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 1.053 HD11 HD11 ' A' ' 160' ' ' LEU . 1.6 mt -119.93 127.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.099 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.2 m-85 -119.47 113.26 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.786 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -84.67 132.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.824 HG22 HD13 ' A' ' 96' ' ' LEU . 4.2 t -89.87 111.54 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.636 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -114.9 134.02 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 133.2 -151.54 20.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.9 t70 -90.98 119.05 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.839 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -97.75 132.23 25.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.839 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 135.93 19.63 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 4.8 m-20 -82.74 152.1 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -137.02 -165.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.6 mm-40 -52.97 -37.78 61.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.22 -40.82 71.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 183' ' ' LEU . 24.4 t0 -58.26 -34.72 70.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' GLN . . . . . 0.543 ' OE1' HD23 ' A' ' 182' ' ' LEU . 6.7 tm0? -74.12 -37.05 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 179' ' ' ALA . 13.2 mt -66.8 -29.06 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.77 -41.31 77.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.61 ' N ' HD23 ' A' ' 183' ' ' LEU . 25.0 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.822 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.7 mtt -52.83 -16.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.86 -33.36 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.652 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -149.51 54.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.2 mt -89.47 123.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.1 m-30 154.14 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CE1' ' HA2' ' A' ' 30' ' ' GLY . 7.7 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.2 pp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.685 ' N ' HD12 ' A' ' 18' ' ' LEU . 27.3 p -109.11 175.37 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.726 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -49.9 -24.89 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.578 HE22 HD23 ' A' ' 24' ' ' LEU . 37.0 tp60 -47.02 -23.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -68.62 -49.74 56.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 4.5 m -63.32 -35.38 80.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.023 HD22 HG13 ' A' ' 85' ' ' ILE . 32.1 tp -67.22 -35.31 79.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 21' ' ' GLN . 26.5 m120 -66.42 -45.36 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -72.52 -35.91 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 24' ' ' LEU . 6.9 tp -63.68 -47.47 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.766 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.59 -7.74 46.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 76.95 -1.99 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -160.64 137.71 5.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -58.92 -106.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER 66.81 40.47 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CB ' HE21 ' A' ' 21' ' ' GLN . 0.2 OUTLIER -159.65 154.79 25.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -124.57 171.93 6.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.63 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -55.68 -36.05 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -60.64 -44.88 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.8 mt -57.42 -44.34 84.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -59.62 -45.64 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -39.63 77.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.98 -50.51 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.832 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.19 -45.49 79.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 17.3 m170 -68.08 -42.11 80.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 67.8 mt-30 -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.95 -43.02 72.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.31 -45.82 92.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.5 mm-40 -74.36 -47.1 36.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.552 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 4.9 mm-40 -68.31 -51.88 39.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.48 -41.66 90.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.4 ttt180 -68.49 -46.23 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 13.9 mtm -71.84 -51.67 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.9 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 1.05 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.6 ptm -71.05 -48.71 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 53' ' ' MET . . . -60.03 -36.85 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.7 mm-40 -65.75 -50.07 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.8 -6.42 11.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 92.96 -12.8 69.18 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.05 HG13 ' O ' ' A' ' 53' ' ' MET . 2.9 m 48.74 8.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.64 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 35.74 24.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 66.99 -54.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' THR . 13.3 mt-10 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' CG ' ' CG2' ' A' ' 59' ' ' THR . 35.7 m-20 -56.13 -35.15 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.817 ' CD2' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -70.04 -52.93 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.9 mtp180 -67.07 -27.34 67.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -50.55 37.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -79.03 -42.94 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.7 mt -38.28 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' PHE . 36.1 mm-40 -51.7 -24.2 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -65.64 164.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.95 130.82 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -82.7 -152.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 79.52 1.91 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.8 m120 67.98 -67.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.355 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.8 ptm 176.71 172.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 7.2 t70 -110.69 176.03 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -140.87 19.68 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -100.26 12.68 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.94 22.99 5.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -141.95 132.54 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 61.6 m-85 -115.57 160.41 20.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 37.4 t -66.17 139.91 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.087 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -61.7 -26.21 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.448 ' OE1' ' CE1' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -60.87 -25.89 67.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 9.7 m -61.66 -37.91 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.023 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -66.76 -37.5 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 23.1 t -62.61 -45.01 94.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.77 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.7 m-80 -63.41 -40.38 97.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.642 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.69 -35.0 74.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.982 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.98 -49.98 58.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.14 -41.6 79.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 87' ' ' ASN . 13.3 m -76.35 -21.24 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.766 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -82.78 -20.8 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.63 -46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.982 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.34 171.32 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' LYS . 2.8 pt-20 -128.95 156.37 43.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 170' ' ' VAL . 7.4 tp -124.97 141.89 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 169' ' ' VAL . 2.8 pp -147.14 158.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.96 135.45 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 167' ' ' ILE . 8.4 t80 -87.25 -43.23 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.651 ' HB2' HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -33.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.9 t -29.56 116.29 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.21 18.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 tp10 -75.46 -45.97 35.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.2 m-85 -63.76 -46.33 85.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.2 mt-30 -55.4 -46.99 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -65.26 -35.7 81.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -69.26 -24.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 48.3 mtp180 131.6 61.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.88 118.33 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 4.4 m-20 -107.23 153.98 40.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.737 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -75.03 -32.65 5.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.713 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -81.88 -26.72 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.5 t-20 -1.52 83.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 113' ' ' ASN . 51.2 tt0 -33.1 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' CZ ' ' O ' ' A' ' 170' ' ' VAL . 0.6 OUTLIER 176.66 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 t -169.75 141.79 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.931 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -133.59 158.56 42.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 82' ' ' ILE . 2.2 mt -126.32 140.32 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.517 ' SG ' HD22 ' A' ' 160' ' ' LEU . 8.7 t -125.71 143.36 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.571 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 5.6 t-20 -129.78 117.72 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -114.15 107.99 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 36.5 88.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 72.48 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.1 131.38 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.867 ' CH2' HD13 ' A' ' 85' ' ' ILE . 37.7 p-90 -129.5 165.17 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -128.86 160.68 31.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.52 121.36 44.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 117' ' ' PHE . 6.7 t -110.67 130.29 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.78 157.02 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -80.64 107.89 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -92.58 122.32 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.79 -80.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -152.0 24.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.74 ' OE1' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -140.7 158.82 43.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.681 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -84.69 115.55 22.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.668 ' CZ ' HD12 ' A' ' 131' ' ' LEU . 3.7 m-85 -116.29 142.8 46.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.871 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -95.48 146.85 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.67 125.89 18.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.721 ' HB3' HD23 ' A' ' 141' ' ' LEU . 3.4 t30 -179.23 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.8 m 158.3 -22.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.721 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -70.66 -17.92 62.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.56 -1.93 56.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.44 23.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.581 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 152.44 178.46 27.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.33 5.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 115.86 8.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.74 HD11 ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -66.62 128.17 35.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.871 HD11 ' OD1' ' A' ' 137' ' ' ASN . 9.2 mt -108.55 113.61 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.52 142.64 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.5 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -55.11 -28.42 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.6 t -83.58 -24.96 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.99 -44.43 11.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.2 OUTLIER -54.06 -47.73 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.92 -46.05 79.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.963 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.88 -35.58 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.828 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.56 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.706 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -62.09 -34.72 76.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.54 92.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.524 ' O ' ' CG ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -60.94 -49.24 78.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.894 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.501 HE21 ' HB3' ' A' ' 161' ' ' GLN . 0.3 OUTLIER -61.16 -43.08 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.349 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -31.22 68.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.4 mm-40 -67.58 -38.28 83.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.721 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.74 -91.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.721 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 156.89 113.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -175.55 73.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.894 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.4 mt -135.13 132.12 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -120.9 147.46 45.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.931 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.39 125.65 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.3 140.82 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 123.36 -158.21 17.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 0.562 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 4.9 t0 -89.07 118.43 28.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.762 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.1 tm? -107.97 129.81 23.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.762 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -84.04 155.42 22.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.75 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.96 -36.69 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.57 -39.53 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 17.0 t70 -58.49 -35.49 72.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -74.13 -37.12 64.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.652 HD11 ' O ' ' A' ' 8' ' ' SER . 28.1 mt -63.91 -33.98 76.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -56.85 -48.35 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.756 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.6 mtt -53.34 -16.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.01 -22.73 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.609 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.85 51.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 6' ' ' MET . 9.7 mt -95.93 123.29 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.7 p90 168.06 -151.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.578 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 2.6 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.611 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.7 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.673 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.6 p -116.06 174.01 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.828 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.43 -26.17 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -48.2 -32.35 6.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -50.04 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 27' ' ' LEU . 68.0 m -67.65 -39.65 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 HD21 ' A' ' 89' ' ' LEU . 13.8 tp -63.39 -39.5 94.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -63.22 -46.35 87.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -65.21 -47.5 76.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 92' ' ' TRP . 21.7 mt -74.63 -22.63 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 9.0 tp60 64.94 118.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.646 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 103.96 136.58 8.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -85.31 107.09 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 9.2 m-85 -144.32 -22.61 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.789 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.55 154.1 18.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -132.39 178.9 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.689 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.69 -36.27 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 12.3 mt-10 -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.6 mt -57.56 -45.36 85.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.24 -45.97 89.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -33.91 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.99 -48.46 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.778 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.06 -47.87 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 39' ' ' SER . 5.1 m170 -64.7 -47.63 77.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 4.4 mt-30 -63.07 -33.16 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -66.51 -44.11 83.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 19.5 t0 -60.56 -47.2 87.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.617 ' CG ' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -74.35 -38.87 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 40.4 tt0 -72.39 -55.09 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -60.26 -37.14 79.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.8 ttm180 -64.76 -49.37 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.9 ptm -72.55 -42.02 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.2 ttt180 -62.25 -49.93 73.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.503 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.0 ptm -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.32 78.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.62 -32.6 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -64.9 -9.25 39.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 88.71 50.71 3.26 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.05 -28.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 53.09 13.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 t 78.65 -46.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.64 -47.42 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 1.1 m-20 -62.43 -33.37 74.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.36 -53.3 30.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -65.52 -30.49 71.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -49.89 65.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.63 -42.16 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' PHE . 13.6 mt -37.59 -30.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.9 mm100 -50.51 -22.99 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -68.13 162.94 55.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.0 -160.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 70' ' ' PRO . 11.8 p -34.49 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA2' ' OG ' ' A' ' 81' ' ' SER . . . 98.34 37.95 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.772 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.2 OUTLIER -136.94 11.3 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.772 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER 54.13 149.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 38.0 t0 -111.18 162.94 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.49 32.5 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -114.9 4.84 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.68 36.46 2.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -152.11 137.53 17.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.983 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.755 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 84.7 m-85 -112.31 159.54 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 1.0 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.3 t -66.98 139.5 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.025 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -60.28 -27.53 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 6.8 mt-30 -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 81' ' ' SER . 10.5 m -60.84 -39.88 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.782 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.31 -45.13 99.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 13.1 t -55.81 -45.49 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.948 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.8 m-80 -62.01 -39.13 91.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.789 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.2 -39.09 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 ' CD1' ' A' ' 94' ' ' LEU . 3.3 mt -66.54 -47.51 72.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -57.01 -48.77 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.948 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -71.05 -20.77 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.74 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.4 m95 -81.56 -20.75 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.34 -38.88 1.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.29 170.37 10.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -125.51 150.88 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -124.73 125.93 44.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.705 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -142.51 159.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.34 136.52 57.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' OE1' ' A' ' 105' ' ' GLN . 7.8 t80 -88.78 -39.24 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.935 HD22 HG13 ' A' ' 167' ' ' ILE . 9.4 m120 -29.17 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.3 OUTLIER -25.36 107.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.943 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.01 -14.97 20.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.4 tt0 -69.48 -47.19 64.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.67 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 5.1 m-85 -69.1 -46.65 67.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.23 -46.93 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 3.3 mtt-85 -64.8 -41.51 95.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.26 -24.75 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt180 129.65 63.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.67 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.89 119.6 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.638 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.88 154.92 39.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.95 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.657 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.61 -18.29 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.638 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -65.06 -13.66 58.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.604 ' CD ' HG13 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -91.64 -177.2 4.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -111.47 -49.06 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.654 ' O ' HG13 ' A' ' 170' ' ' VAL . 0.6 OUTLIER -124.58 118.71 27.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.701 ' CE2' ' HA ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -114.06 145.53 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 1.009 HD12 HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -120.71 141.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.49 ' SG ' HD22 ' A' ' 160' ' ' LEU . 11.0 t -127.5 142.94 51.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.322 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.2 OUTLIER -129.48 123.71 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.626 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.6 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 37.9 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.3 tt0 -106.51 113.13 26.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 0.7 OUTLIER 95.52 140.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.646 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.828 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.1 p-90 -128.76 165.31 21.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.741 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.27 158.51 37.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.963 HG23 HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -115.43 126.85 54.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.629 ' N ' ' O ' ' A' ' 117' ' ' PHE . 12.4 t -112.51 127.25 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 21.0 ptt-85 -128.98 146.63 50.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 20.9 pttp -70.95 120.99 17.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 9.3 tt -119.68 121.75 39.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.534 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 67.44 -108.07 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.27 14.62 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -141.43 154.57 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.657 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 9.3 m95 -76.94 137.2 38.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.6 m-85 -128.22 133.03 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.699 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -91.49 150.94 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.443 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -148.06 134.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.51 ' HB3' HD23 ' A' ' 141' ' ' LEU . 31.1 t30 175.67 -69.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.0 t 161.21 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -70.38 -22.14 62.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.47 -2.62 58.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.32 23.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.652 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 151.07 176.8 24.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.44 ' CB ' HD21 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -48.3 157.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.12 123.71 46.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.699 HD11 ' OD1' ' A' ' 137' ' ' ASN . 15.7 mt -114.62 119.73 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.33 148.28 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -54.95 -34.77 63.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.81 -17.18 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.413 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -86.89 -42.6 13.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.4 tm? -54.45 -48.36 71.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.519 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.64 -44.65 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.93 -36.46 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.814 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.69 -50.07 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 111' ' ' PRO . 4.3 mt -59.59 -34.74 73.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.39 87.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -60.73 -49.85 75.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.895 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.37 -38.76 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.7 mt-30 -60.92 -40.46 93.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -70.97 -33.68 70.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 159' ' ' GLN . 0.3 OUTLIER -64.69 -42.26 95.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.71 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.71 -87.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.71 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 156.23 121.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.759 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 179.65 72.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.935 HG13 HD22 ' A' ' 100' ' ' ASN . 2.7 mt -135.5 128.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.025 ' CE2' HG21 ' A' ' 82' ' ' ILE . 2.3 m-85 -117.9 130.83 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.604 HG13 ' CD ' ' A' ' 114' ' ' GLU . 1.2 t -108.53 128.78 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.938 HG23 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -98.62 116.93 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.499 ' HB3' ' NH2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -114.43 143.82 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 136.37 -144.46 16.18 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 1.013 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.8 m-20 -96.66 118.8 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 27' ' ' LEU . 1.6 tm? -102.87 126.3 33.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.584 ' O ' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 162.16 37.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -98.09 135.54 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 14.9 p -109.2 -177.29 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.87 -42.77 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.23 -38.21 70.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 176' ' ' ASP . 1.0 OUTLIER -57.77 -34.56 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -40.75 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 179' ' ' ALA . 8.2 mt -62.69 -27.08 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.4 OUTLIER -56.46 -43.0 79.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.508 ' N ' HD13 ' A' ' 183' ' ' LEU . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.55 ' OG ' HD11 ' A' ' 9' ' ' ILE . 54.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.803 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -52.29 -11.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 5' ' ' SER . 14.5 pt-20 -53.08 -47.34 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.641 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.6 OUTLIER -136.41 49.98 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.803 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -86.19 123.78 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 159.46 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.524 ' HB2' ' CB ' ' A' ' 26' ' ' ASN . 3.0 t60 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.4 pp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.4 p -115.34 174.71 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.26 -24.97 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.737 ' OE1' HD21 ' A' ' 38' ' ' LEU . 6.2 tp60 -47.12 -32.49 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -57.09 -50.59 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.595 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -64.83 -39.25 93.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.875 HD11 HD21 ' A' ' 89' ' ' LEU . 7.4 tp -63.26 -42.44 99.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 23.6 m120 -59.43 -45.64 90.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.43 -26.41 62.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.664 ' CD2' HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -75.14 -47.21 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 58.0 mt -75.3 -1.46 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.75 -46.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.652 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -119.36 132.42 9.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.49 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 74.7 42.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.11 155.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.86 179.36 1.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -33.18 4.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.32 -46.23 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.2 mt-10 -60.99 -45.6 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.737 HD21 ' OE1' ' A' ' 21' ' ' GLN . 2.9 tp -57.03 -45.55 83.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -62.79 -37.8 88.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -75.1 -31.84 61.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.3 tt -71.71 -41.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.82 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.73 -47.46 75.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.2 m170 -60.88 -47.17 87.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.8 mt-30 -61.79 -34.05 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -64.4 -45.7 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -59.95 -44.7 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' O ' ' HE2' ' A' ' 51' ' ' MET . 49.9 mt-10 -73.73 -40.84 63.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 37.0 mt-10 -69.54 -55.55 9.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.28 -38.0 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.1 ttm180 -61.31 -49.81 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 23.4 ptp -73.3 -46.49 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.589 ' N ' ' HG3' ' A' ' 51' ' ' MET . 4.6 tpt180 -58.54 -47.9 82.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.609 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.9 ptm -72.19 -42.61 65.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.3 78.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' GLY . 1.2 mm-40 -80.54 -56.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -40.4 -23.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 103.42 58.0 0.74 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -43.61 -26.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 52.53 15.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 2.9 t 76.27 -51.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -53.51 -47.82 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.5 m-20 -58.72 -33.47 70.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.32 -34.98 79.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -50.68 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -79.27 -44.0 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 63' ' ' TYR . 12.0 mt -35.55 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.3 mm100 -47.77 -23.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -72.56 165.52 50.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.338 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.97 130.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -153.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 77.01 0.18 68.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 69.98 -60.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.604 ' HE1' ' CE2' ' A' ' 80' ' ' PHE . 24.7 ptm 177.18 -176.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.7 -176.32 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.67 23.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t -108.93 3.96 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.82 35.62 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -164.35 135.5 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' ' HE1' ' A' ' 74' ' ' MET . 61.5 m-85 -111.13 159.74 17.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 t -66.76 143.23 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.077 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -57.45 -27.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.6 mt-30 -63.17 -24.61 67.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.48 -43.77 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.824 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.54 -40.99 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 22.9 t -59.51 -44.18 93.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.914 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -40.85 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.01 -34.65 69.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.875 HD21 HD11 ' A' ' 24' ' ' LEU . 1.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.98 -44.65 82.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.7 m -73.59 -21.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.77 -20.73 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.92 -39.59 1.84 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.7 OUTLIER -90.41 169.09 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.1 pt-20 -124.83 152.87 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.76 125.14 43.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.72 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -134.29 158.36 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.737 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -65.46 136.52 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t80 -85.99 -44.26 12.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.797 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -26.79 -56.96 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.658 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -11.56 107.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.004 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HA ' ' HG3' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -75.0 -15.77 20.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.4 tt0 -66.73 -47.74 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.659 ' O ' HD13 ' A' ' 109' ' ' ILE . 10.2 m-85 -69.87 -44.56 69.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.56 -46.72 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -66.47 -40.94 89.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -62.42 -25.14 67.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 20.6 mtt180 130.14 62.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -126.88 120.71 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 154.75 39.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.694 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.01 -35.93 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.528 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.85 -18.84 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.61 61.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 117' ' ' PHE . 2.6 pm0 -162.22 -178.53 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.585 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -117.0 -14.86 10.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 11.4 t -167.53 121.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.41 158.65 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -125.58 135.98 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.97 143.38 51.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.73 126.05 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.12 -90.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 16.6 tt0 -107.06 111.8 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.0 t-160 97.19 139.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.824 ' CH2' HD13 ' A' ' 85' ' ' ILE . 40.7 p-90 -128.81 165.06 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.761 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 2.3 m-85 -129.02 161.35 30.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.4 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -113.43 126.65 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 117' ' ' PHE . 57.1 t -105.28 121.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 130' ' ' LYS . 55.8 ttt-85 -118.41 152.96 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.448 ' C ' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -94.39 126.06 39.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.786 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 3.4 mm? -110.19 121.63 45.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 65.23 -84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 30.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.631 ' HB3' HD21 ' A' ' 147' ' ' LEU . 15.2 mm-40 -140.68 160.38 40.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.645 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -98.32 130.65 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 131' ' ' LEU . 4.2 m-85 -131.56 143.46 50.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.511 ' CG ' HG22 ' A' ' 128' ' ' VAL . 3.2 t-20 -95.35 133.91 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -139.5 138.53 36.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 140' ' ' SER . 12.4 t-20 174.43 -46.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.8 m 144.9 -19.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.761 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.64 -29.48 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.729 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.94 -9.25 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.67 23.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.452 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 176.1 154.79 11.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 65.06 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -54.23 144.54 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -88.59 125.13 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 137' ' ' ASN . 31.2 mt -104.84 146.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.645 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -54.91 -37.66 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 6.0 t -83.52 -3.37 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.23 -48.9 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -54.0 -47.94 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.54 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.72 -44.44 81.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.87 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.909 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.24 -52.07 65.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.59 -34.46 74.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.33 88.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.488 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.52 -48.52 72.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.28 -34.11 77.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 9.5 mt-30 -64.71 -46.82 80.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -71.16 -27.05 63.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.3 -32.44 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.95 -96.67 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' TYR . . . . . 0.797 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 157.07 115.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -177.93 73.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 10.1 mt -134.83 130.1 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 1.077 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -120.78 143.02 49.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.8 p -112.26 128.89 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -86.88 110.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.88 138.33 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 131.62 -157.42 22.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ASP . . . . . 1.023 ' O ' HD22 ' A' ' 94' ' ' LEU . 20.0 t0 -85.36 120.04 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 27' ' ' LEU . 1.7 tm? -110.97 125.57 30.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.582 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.04 159.34 41.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ASP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -97.12 153.18 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 177' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 p -124.84 -173.01 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 108.332 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 181' ' ' GLN . 1.2 mm-40 -53.31 -38.03 62.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.786 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -55.72 -33.54 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 31.9 t70 -58.28 -40.57 82.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.93 -36.56 64.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 8' ' ' SER . 45.2 mt -64.75 -27.61 69.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.7 OUTLIER -56.87 -49.6 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.844 ' HB2' HD13 ' A' ' 183' ' ' LEU . 1.7 mt-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.647 ' HD3' HD11 ' A' ' 186' ' ' ILE . 18.3 Cg_endo -75.05 -5.47 16.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 86.12 -47.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . -148.11 113.56 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.5 p -67.37 -48.91 66.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.581 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.9 -13.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 21.1 mm-40 -52.81 -33.72 50.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.598 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.07 58.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 8.1 mt -87.43 123.67 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 156.52 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 26' ' ' ASN . 11.0 t-160 -100.07 135.91 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' HIS . 1.4 pt-20 -49.26 -103.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 1.6 ttmm -83.34 122.71 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' OE1' ' OD1' ' A' ' 26' ' ' ASN . 15.5 tp60 -121.95 117.93 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.0 66.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.05 81.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 50.0 m -117.73 110.82 18.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' A' ' 19' ' ' CYS . 4.0 pp -175.04 -50.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' A' ' 18' ' ' LEU . 29.4 m -115.02 174.55 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.736 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.4 -24.05 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.752 ' OE1' HD23 ' A' ' 24' ' ' LEU . 4.1 tp-100 -46.39 -22.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.485 ' CE1' HD21 ' A' ' 26' ' ' ASN . 31.0 t60 -69.95 -52.14 26.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.52 -36.5 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' OE1' ' A' ' 21' ' ' GLN . 33.1 tp -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 16.9 m120 -61.22 -42.98 99.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 38.5 m-20 -68.91 -40.54 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 24' ' ' LEU . 3.7 tp -63.44 -46.95 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.679 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.53 -9.06 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.94 -5.35 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.731 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.24 131.56 2.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -56.19 -108.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.731 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.2 m-85 75.04 13.53 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -128.89 147.54 50.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 2.3 m -111.99 167.33 9.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.621 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -32.73 5.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.11 -41.96 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.4 mt-10 -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 84' ' ' VAL . 1.4 mt -56.73 -45.12 82.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.595 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -64.32 -43.31 95.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -40.59 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -61.6 -44.33 98.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.06 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -62.46 -47.14 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.9 m170 -62.17 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 6.3 mm-40 -62.37 -34.53 76.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.37 -46.5 86.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.19 -44.43 95.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -72.05 -40.47 68.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 51' ' ' MET . 8.8 mt-10 -74.33 -53.68 9.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.3 ttp180 -70.17 -48.84 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.6 ptm -72.44 -45.85 57.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.32 -50.08 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.529 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 1.8 ptm -72.15 -42.77 65.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.3 -48.69 74.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -63.18 -60.61 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.17 -13.31 3.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 99.22 -20.61 49.33 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.8 p 49.65 7.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t 35.92 20.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 65.64 -50.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 1.8 mm-40 -53.43 -47.56 69.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 7.6 m-20 -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.72 -53.1 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -27.28 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -69.79 -49.61 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.27 -41.74 33.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.0 mt -40.14 -28.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.7 mm100 -53.14 -26.74 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.542 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.6 mt-30 -63.99 164.68 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.0 129.37 12.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -84.85 -151.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.97 2.17 84.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 74' ' ' MET . 8.2 m-20 62.8 -72.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLY . 22.9 ptm 177.55 165.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.0 t0 -110.32 -178.51 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.43 21.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -98.48 3.64 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.73 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -164.76 141.92 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 36.8 m-85 -119.5 158.64 25.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.36 139.47 57.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.027 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.108 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.34 -27.25 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.5 mp0 -61.75 -24.69 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.06 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.81 -39.03 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.836 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.3 -38.33 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 36.0 t -61.65 -45.33 94.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.711 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.83 -42.01 98.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -71.02 -34.63 71.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.89 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -65.58 -49.99 66.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -57.36 -47.71 80.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 87' ' ' ASN . 9.3 m -70.7 -19.96 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -83.74 -20.77 32.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.32 -42.1 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.89 HD11 HD13 ' A' ' 89' ' ' LEU . 1.4 pt? -90.23 170.48 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 171' ' ' LYS . 8.8 pt-20 -127.03 154.45 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.74 125.77 44.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.2 pp -136.22 159.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.759 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.23 141.64 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.512 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.6 t80 -93.31 -43.47 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.704 ' HB2' HD12 ' A' ' 98' ' ' LEU . 4.7 m120 -31.62 -45.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.604 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.6 t -21.65 106.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.48 20.73 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.7 mt-10 -70.67 -47.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.688 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -69.53 -47.01 65.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -54.91 -47.1 74.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -64.72 -41.69 95.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.767 ' O ' ' HG2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.41 -23.43 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 1.2 mmt-85 127.78 64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.688 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.04 117.82 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -107.5 153.93 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.703 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.03 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.567 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.09 -23.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 2.8 m-20 -57.45 -20.13 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.767 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -87.63 -174.12 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.966 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -120.38 -29.84 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.9 t -137.95 121.87 17.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.998 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -120.68 153.2 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 82' ' ' ILE . 1.3 mt -126.9 141.02 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.3 146.71 49.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 2.6 t-20 -130.01 125.89 36.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -110.78 108.28 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 53.95 -84.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -109.11 -68.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.349 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -63.68 144.86 56.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.592 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.836 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.7 p-90 -128.7 164.38 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -129.35 162.12 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.475 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -113.82 128.9 56.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 117' ' ' PHE . 18.9 t -109.21 127.41 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 21.8 ttp-105 -123.83 136.74 54.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -80.73 104.02 10.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -98.57 122.29 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.456 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.2 -97.83 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -136.06 16.38 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.455 ' NE2' ' OD1' ' A' ' 150' ' ' ASP . 32.0 mm-40 -137.34 160.36 39.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.567 ' NE1' HG22 ' A' ' 112' ' ' ILE . 89.1 m95 -89.44 144.14 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.702 ' HE1' HD12 ' A' ' 147' ' ' LEU . 2.4 m-85 -134.2 124.41 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.41 137.85 38.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.96 131.19 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' H ' HD21 ' A' ' 142' ' ' LEU . 26.9 t-20 176.68 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.6 p 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.559 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.4 -23.3 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.73 -2.34 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.82 25.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.52 -169.42 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HB2' ' CD2' ' A' ' 136' ' ' PHE . 18.2 Cg_endo -75.05 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.45 102.86 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.702 HD12 ' HE1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -62.2 125.28 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 153' ' ' LEU . 90.4 mt -118.4 119.93 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.44 154.18 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 134' ' ' GLN . 0.6 OUTLIER -58.73 -34.56 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.4 -9.76 58.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -96.89 -43.9 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 153' ' ' LEU . 1.1 tm? -54.37 -47.96 72.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.22 -39.44 94.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.856 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -64.5 -51.67 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.655 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -58.17 -34.51 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.5 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.468 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.33 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.01 -36.39 82.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.52 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 3.2 mt-30 -62.73 -46.54 87.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.85 -28.49 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -29.42 61.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.31 -98.81 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.706 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 106.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.962 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -167.72 70.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.1 mt -134.25 136.99 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.108 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -122.26 127.65 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.998 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -91.9 120.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.628 HG13 HD12 ' A' ' 89' ' ' LEU . 4.4 t -90.11 111.25 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.558 ' HE3' HD11 ' A' ' 97' ' ' ILE . 11.9 ptpt -117.41 144.81 44.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 130.99 -153.81 20.5 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.74 ' O ' HD22 ' A' ' 94' ' ' LEU . 3.8 m-20 -92.75 119.36 32.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.966 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 1.6 tm? -108.41 125.64 31.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.575 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.96 157.12 43.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -93.14 151.33 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.06 -165.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 3.8 mm-40 -53.02 -42.54 65.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -55.6 -39.27 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.9 t70 -58.36 -35.11 71.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' A' ' 185' ' ' MET . 65.6 mt-30 -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 8' ' ' SER . 17.7 mt -61.77 -30.8 71.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.4 OUTLIER -57.01 -44.19 82.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.733 ' HB2' HD13 ' A' ' 183' ' ' LEU . 4.3 mt-30 -161.8 -68.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 181' ' ' GLN . 1.9 ttt -42.85 107.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.647 HD11 ' HD3' ' A' ' 2' ' ' PRO . 37.8 mm -90.3 158.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -55.03 23.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 59.1 t -43.36 118.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -177.53 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.731 ' HD3' HD11 ' A' ' 186' ' ' ILE . 18.2 Cg_endo -75.05 -171.28 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.24 -49.05 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.64 120.34 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 182' ' ' LEU . 26.3 p -74.99 -49.01 21.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.834 ' HA ' HD12 ' A' ' 9' ' ' ILE . 1.8 ttt -53.72 -13.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -53.84 -35.19 61.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.705 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -151.67 59.3 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -92.69 124.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 160.63 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.62 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 10.1 t-160 -111.65 136.13 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -47.65 -101.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -79.8 124.53 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.591 ' OE1' ' ND1' ' A' ' 11' ' ' HIS . 5.7 tp60 -136.18 118.04 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -125.1 95.84 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' SER . . . 173.29 -73.06 0.1 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 33.64 37.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 0.719 . . . . 0.0 110.004 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -121.14 -52.02 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.681 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.5 m -115.06 174.36 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.93 -25.88 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.3 -25.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -61.74 -50.21 73.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.498 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 2.2 m -68.26 -39.67 82.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 85' ' ' ILE . 23.0 tp -61.94 -45.89 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.631 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 15.4 m120 -59.42 -44.72 92.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.533 ' OD1' ' OE1' ' A' ' 14' ' ' GLN . 2.2 m120 -72.09 -28.14 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -47.42 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -72.18 -24.44 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 tp-100 68.0 112.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.658 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 102.11 102.46 2.64 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -58.22 101.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 6.3 m-30 -116.9 -45.01 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CE1' ' ND2' ' A' ' 25' ' ' ASN . 2.8 p90 -100.99 154.96 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.546 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -106.75 -178.76 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.828 ' HB3' HD21 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.86 -41.82 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 5.1 mt-10 -58.26 -38.99 78.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 21' ' ' GLN . 2.6 tp -59.56 -45.66 91.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -58.8 -46.32 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -33.65 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.0 -46.9 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.775 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.91 -47.91 76.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.6 m170 -61.79 -48.0 82.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.675 ' O ' ' N ' ' A' ' 48' ' ' GLU . 62.4 mt-30 -65.23 -33.79 76.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.42 -48.02 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -61.57 -45.13 95.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 mt-10 -74.0 -46.7 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.675 ' N ' ' O ' ' A' ' 44' ' ' GLN . 26.5 tt0 -68.43 -52.24 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.3 tp10 -59.53 -41.66 90.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.0 ttp180 -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.2 ptm -73.43 -42.63 61.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.8 tpp180 -59.42 -50.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 5.9 ptm -71.38 -42.11 68.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.32 -32.02 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.51 -7.54 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 86.67 51.96 3.29 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.33 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.6 t 52.72 14.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 58' ' ' VAL . 7.4 t 77.13 -49.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.3 -47.43 69.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 49.8 m-20 -61.85 -33.3 73.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.53 -53.64 44.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.594 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.2 mmm180 -67.09 -27.2 67.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -50.39 42.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.32 -44.52 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.5 mt -35.26 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mm100 -47.41 -22.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -76.32 164.45 59.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.02 132.23 15.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.6 p -102.59 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 90.08 12.32 62.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.2 m-20 64.76 -73.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.5 ptm 174.02 176.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -110.79 -176.72 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.51 13.74 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -87.99 -11.45 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 123.53 43.92 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -155.17 126.14 7.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.916 ' CD2' HD23 ' A' ' 38' ' ' LEU . 41.6 m-85 -102.22 159.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 1.023 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.39 147.93 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.1 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.55 -27.58 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.501 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.36 -25.03 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.023 HG22 ' O ' ' A' ' 81' ' ' SER . 4.8 m -61.17 -40.27 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.875 HG13 HD22 ' A' ' 24' ' ' LEU . 1.2 mp -62.37 -39.96 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.909 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.0 m-80 -61.25 -39.84 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.6 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -72.61 -34.57 67.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.716 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.47 -50.24 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.17 -46.93 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.4 m -70.93 -21.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.9 m95 -82.95 -20.73 34.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.63 -39.71 1.83 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.923 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.55 169.21 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.4 pt-20 -131.71 155.12 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 168' ' ' PHE . 12.0 tp -124.9 136.58 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.635 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.5 pp -138.57 159.06 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.721 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.63 123.86 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' C ' ' A' ' 100' ' ' ASN . 58.3 t80 -72.39 -51.1 21.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 98' ' ' LEU . 24.9 m120 -23.74 -64.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.676 ' C ' ' O ' ' A' ' 100' ' ' ASN . 3.4 t -8.36 110.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -28.9 8.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.0 mt-10 -61.11 -46.7 89.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.587 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.9 m-85 -65.29 -46.54 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.8 -46.26 78.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -68.05 -32.69 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.735 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -69.68 -25.37 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.735 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 16.2 mtt180 133.28 57.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.587 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -127.0 117.77 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 1.4 m-20 -107.51 151.09 40.85 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.97 -33.42 4.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.65 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.06 -22.56 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 112' ' ' ILE . 0.8 OUTLIER -20.35 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 2.3 pt-20 -30.34 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -175.84 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 170' ' ' VAL . 21.3 t -124.21 120.02 31.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.043 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.15 158.1 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.821 HD12 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -127.94 148.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 5.1 t -127.48 145.84 50.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 166' ' ' SER . 1.6 t-20 -133.95 122.75 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -114.02 107.99 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.24 -90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -104.64 111.49 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.614 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.1 t-160 97.24 139.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.575 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.791 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 53.1 p-90 -128.92 165.0 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.032 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.95 158.67 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.52 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.55 135.93 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.043 HG21 ' CE2' ' A' ' 117' ' ' PHE . 15.6 t -123.63 130.68 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -131.58 143.82 50.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -71.42 106.64 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.59 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -92.3 117.87 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 131' ' ' LEU . . . 58.95 -95.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 7.5 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.807 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.544 ' NE2' ' OD1' ' A' ' 150' ' ' ASP . 44.9 mm-40 -124.52 159.71 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CD1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -94.18 113.9 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.644 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.2 m-85 -109.69 140.07 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -97.92 146.88 25.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.498 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -141.18 128.93 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.55 ' OD1' HD23 ' A' ' 141' ' ' LEU . 3.8 t-20 -174.83 -73.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 139' ' ' ASN . 0.4 OUTLIER 169.55 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.13 -20.11 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.746 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.1 -4.02 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.76 25.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 146.03 -175.18 25.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 156.56 33.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.619 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -102.1 123.69 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.629 HD11 ' OD1' ' A' ' 137' ' ' ASN . 19.9 mt -116.66 116.18 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 146.11 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.544 ' OD1' ' NE2' ' A' ' 134' ' ' GLN . 0.7 OUTLIER -55.09 -30.66 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.5 t -83.64 -21.42 32.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -86.49 -46.61 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -54.08 -47.25 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.28 89.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.57 -38.82 90.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.866 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.99 -51.81 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.71 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -60.87 -34.51 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.71 95.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.97 -48.62 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.84 -32.64 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.1 mt-30 -66.27 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.22 -25.78 62.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.77 -35.02 62.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.693 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.28 -96.17 0.1 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.693 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.56 109.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -165.97 68.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.968 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.3 mt -133.6 136.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -123.72 124.86 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.493 HG13 ' CZ ' ' A' ' 115' ' ' ARG . 1.2 t -96.13 122.02 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.643 HG22 HD13 ' A' ' 96' ' ' LEU . 10.5 t -86.83 110.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.635 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -116.77 138.09 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.42 -157.41 23.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.923 ' O ' HD22 ' A' ' 94' ' ' LEU . 30.1 t70 -85.12 119.11 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.6 tm? -104.38 126.4 31.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.576 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.03 152.16 40.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.7 161.99 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 179' ' ' ALA . 31.9 p -146.87 172.88 12.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.93 -42.23 65.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.59 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.584 ' HA ' HD23 ' A' ' 183' ' ' LEU . 32.5 t70 -58.36 -34.66 70.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.806 ' CD ' HG22 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -75.75 -41.02 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.705 HD11 ' O ' ' A' ' 8' ' ' SER . 19.6 mt -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 180' ' ' ASP . 0.3 OUTLIER -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.474 ' HG3' HD12 ' A' ' 183' ' ' LEU . 6.2 mt-30 -155.36 -71.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.448 ' O ' ' O ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -35.78 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.731 HD11 ' HD3' ' A' ' 2' ' ' PRO . 27.1 mm -96.23 164.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.8 OUTLIER 60.87 113.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.806 HG22 ' CD ' ' A' ' 181' ' ' GLN . 76.2 t -111.83 140.33 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -102.07 -23.62 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.801 ' CG ' HD11 ' A' ' 186' ' ' ILE . 18.2 Cg_endo -74.99 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.64 -47.44 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.76 118.09 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.66 ' O ' HD13 ' A' ' 182' ' ' LEU . 2.3 p -57.58 -48.93 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.872 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.2 mtt -55.54 -14.8 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.63 -24.59 49.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.819 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -139.51 43.88 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 6' ' ' MET . 2.1 mt -94.35 123.82 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CG ' ' C ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 157.71 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -112.96 135.63 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.1 pt-20 -59.95 -140.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 9.9 mmtt 42.31 -127.97 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.6 pm0 -91.97 159.72 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -141.86 44.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -60.75 -137.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.427 1.079 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 162.6 92.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.804 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -138.4 -67.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.804 ' H ' HD23 ' A' ' 18' ' ' LEU . 77.5 m -115.51 173.81 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -54.68 -24.33 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.837 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.85 -45.82 20.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 1.8 m80 -59.22 -44.17 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -42.81 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 85' ' ' ILE . 31.5 tp -64.38 -38.27 90.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' GLU . 12.3 m-20 -62.12 -44.56 96.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 5.6 m-20 -73.68 -32.68 64.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -69.32 -7.18 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.99 -9.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -160.87 161.42 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -71.52 -102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 66.88 28.79 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -155.19 141.61 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -110.64 172.41 3.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.458 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -23.34 13.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.81 -43.99 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.18 -48.55 81.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.837 HD12 ' HB2' ' A' ' 21' ' ' GLN . 4.7 mt -57.15 -34.51 68.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.629 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 21.4 t -68.18 -45.89 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -31.01 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.0 -47.55 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.718 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -56.5 -48.52 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 39' ' ' SER . 6.3 m170 -64.6 -46.74 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 48' ' ' GLU . 72.8 mt-30 -64.44 -33.99 77.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.65 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.15 -47.92 80.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 26.5 t70 -60.27 -44.86 94.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.98 -47.33 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 44' ' ' GLN . 3.3 tt0 -68.04 -51.43 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 tp10 -59.53 -42.53 92.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 12.2 ttp180 -59.18 -49.27 78.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.0 ptm -73.19 -43.54 61.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tpp180 -59.12 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.512 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.1 ptm -70.76 -42.66 70.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.98 -48.8 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -79.27 -31.32 43.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -66.4 -7.55 40.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 87.24 50.19 3.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -40.25 -28.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 0.811 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.5 t 52.94 13.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 58' ' ' VAL . 5.6 t 77.9 -47.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.29 -47.49 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 10.3 m-20 -62.93 -32.92 74.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.26 -53.76 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.7 mmm-85 -67.26 -27.47 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.64 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.46 -44.96 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 63' ' ' TYR . 12.0 mt -35.0 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.8 mm100 -47.08 -22.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.614 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.1 mt-30 -74.52 160.56 80.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 m -133.21 -105.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 53.15 43.79 63.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 74' ' ' MET . 28.7 m-20 63.61 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.777 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 4.1 ptt? 178.67 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.747 ' N ' ' HG3' ' A' ' 74' ' ' MET . 0.6 OUTLIER -112.23 -175.42 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.93 -29.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.55 -42.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . -166.67 54.88 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.777 ' CZ ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -158.2 158.72 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CD2' ' CB ' ' A' ' 19' ' ' CYS . 32.4 m-85 -119.74 159.27 24.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.989 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.95 145.21 55.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.128 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.69 -28.98 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -62.98 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 81' ' ' SER . 3.2 m -61.14 -36.87 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.943 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.72 -42.63 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -59.01 -44.87 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 3.2 m120 -61.27 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.65 -32.16 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -67.6 -49.55 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 18.3 ptpt -57.05 -48.21 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.9 m -68.7 -24.04 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.7 m95 -80.68 -21.0 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.24 -37.6 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 173' ' ' ASP . 1.2 pt? -90.65 170.83 9.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 171' ' ' LYS . 12.3 pt-20 -134.4 154.74 51.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 168' ' ' PHE . 13.5 tp -124.77 141.91 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 96' ' ' LEU . 1.1 pp -143.6 160.14 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -63.71 138.4 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.934 ' HB2' HG13 ' A' ' 169' ' ' VAL . 32.2 t80 -84.67 -50.74 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.773 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 2.0 m120 -25.28 -57.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.673 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.5 t -8.88 102.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.16 20.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 mt-10 -72.15 -46.66 55.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.648 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.4 m-85 -68.12 -46.49 70.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -55.37 -46.53 76.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.38 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.737 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.34 -24.52 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.737 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptm180 131.14 60.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.648 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.85 119.92 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.534 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -106.7 154.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.99 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.791 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -75.65 -23.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -60.27 -16.75 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.75 119.14 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -67.71 -8.46 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -165.68 110.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.24 158.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.91 HD12 HD11 ' A' ' 82' ' ' ILE . 2.6 mt -123.27 144.75 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -127.33 144.21 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 4.2 t-20 -131.92 124.62 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -114.09 108.34 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.2 mppt? 34.72 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tt0 -102.21 111.39 23.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.589 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.2 t-160 94.5 140.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.851 ' CH2' HD13 ' A' ' 85' ' ' ILE . 58.6 p-90 -128.87 165.02 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.614 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -128.51 159.39 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.48 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -111.81 132.5 54.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.1 HG21 ' CE2' ' A' ' 117' ' ' PHE . 23.6 t -114.76 121.76 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.424 ' NH1' ' HG ' ' A' ' 138' ' ' LEU . 1.0 OUTLIER -121.9 156.32 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.592 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.9 OUTLIER -86.23 123.44 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.941 HD12 ' HB2' ' A' ' 136' ' ' PHE . 11.0 mt -117.26 122.41 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 68.31 -101.05 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 19.97 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.53 ' NE2' ' OD1' ' A' ' 150' ' ' ASP . 32.9 mm-40 -140.18 160.53 39.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 6.3 m95 -86.51 145.12 26.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.941 ' HB2' HD12 ' A' ' 131' ' ' LEU . 21.8 m-85 -145.78 136.51 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.778 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.2 p-10 -88.81 150.42 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' H ' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -148.51 139.67 23.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.447 ' H ' HD13 ' A' ' 138' ' ' LEU . 17.4 t30 177.01 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 164.36 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.669 ' HG ' HD13 ' A' ' 142' ' ' LEU . 1.1 pp -68.56 -28.48 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -82.08 -3.57 54.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.44 22.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.462 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.702 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 152.78 174.75 23.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.4 Cg_endo -74.98 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -87.07 155.63 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.748 HD13 ' CZ ' ' A' ' 136' ' ' PHE . 28.2 tp -101.33 123.93 46.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.778 HD11 ' OD1' ' A' ' 137' ' ' ASN . 39.3 mt -115.02 123.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 148.06 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.53 ' OD1' ' NE2' ' A' ' 134' ' ' GLN . 4.3 m-20 -55.15 -33.04 62.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.3 t -83.68 -24.01 31.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -82.52 -45.29 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.08 -48.0 71.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.58 -43.8 88.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.67 -36.78 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.786 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.87 -51.7 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 160' ' ' LEU . 5.0 mt -58.51 -35.0 71.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.97 92.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.56 -48.37 81.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.9 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.92 -36.93 83.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 7.2 mt-30 -62.41 -46.4 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -70.9 -28.59 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.41 -30.09 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.59 -99.02 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.773 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 158.52 112.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -174.1 73.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.9 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.3 mt -134.81 137.0 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.128 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 144.56 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.934 HG13 ' HB2' ' A' ' 99' ' ' PHE . 35.2 m -112.07 131.59 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.637 HG12 HD12 ' A' ' 94' ' ' LEU . 2.7 t -93.45 110.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -120.87 135.74 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 137.93 -152.63 21.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.718 ' O ' HD22 ' A' ' 94' ' ' LEU . 58.2 m-20 -83.8 120.98 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.832 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -110.23 132.64 21.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.832 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.59 143.8 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 20.5 p -127.07 -167.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.82 -42.42 65.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.21 -39.27 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 13.4 t70 -58.44 -35.12 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -75.75 -35.12 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.819 HD11 ' O ' ' A' ' 8' ' ' SER . 69.0 mt -60.07 -46.03 90.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.874 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -61.35 -41.72 97.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.612 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -73.67 -142.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 186' ' ' ILE . 3.6 mtt -126.11 44.25 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 111.055 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.801 HD11 ' CG ' ' A' ' 2' ' ' PRO . 3.0 mm 54.13 171.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.515 ' H ' HG22 ' A' ' 186' ' ' ILE . 13.9 mtt-85 -139.34 -70.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 189' ' ' GLN . 7.6 p -143.43 -53.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' GLN . . . . . 0.495 ' N ' HG13 ' A' ' 188' ' ' VAL . 0.3 OUTLIER -166.79 -57.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.654 ' CA ' HD11 ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.58 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.787 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.98 -56.53 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -124.5 115.64 2.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.107 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.3 m -76.65 -48.96 17.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 11.3 mtt -51.32 -20.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 2.9 mt-10 -53.91 -34.36 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.806 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -145.42 58.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.1 mt -103.3 123.92 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.748 ' HE1' HD21 ' A' ' 138' ' ' LEU . 0.6 OUTLIER 156.63 -165.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 11.5 t60 -75.63 135.36 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' HB3' ' CG ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -58.18 -74.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 44.5 mttm -58.01 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.662 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -92.55 144.43 25.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 16' ' ' GLY . 6.8 mt-10 -99.67 -24.11 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 51.42 174.16 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.98 35.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -98.75 -66.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.727 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 29.4 p -115.85 173.97 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.2 -24.85 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -46.89 -38.99 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 139' ' ' ASN . 3.4 p-80 -54.07 -46.29 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 0.5 OUTLIER -66.46 -42.42 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 85' ' ' ILE . 11.7 tp -61.71 -43.02 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 3.5 m120 -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 22' ' ' HIS . 1.3 m-20 -71.16 -26.81 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 ' OG ' ' A' ' 116' ' ' SER . 4.4 tp -72.04 -47.04 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 92' ' ' TRP . 41.0 mt -77.01 -32.56 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 177' ' ' CYS . 4.5 tm0? 59.14 102.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 167.23 -53.08 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.4 tt0 88.76 64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.5 m-85 -134.5 48.51 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.803 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.69 154.76 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.9 -179.93 1.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.03 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.94 -37.95 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -59.95 -44.52 94.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.02 -44.77 83.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -59.32 -46.0 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -67.25 -41.33 85.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -63.08 -47.97 90.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.43 -46.83 76.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 39' ' ' SER . 13.0 m170 -67.26 -44.69 78.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -64.96 -35.09 80.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.58 -43.93 83.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.68 -45.06 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 tp10 -73.97 -42.37 60.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.7 tt0 -69.61 -52.27 27.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.666 ' CG ' HD12 ' A' ' 45' ' ' LEU . 6.9 mm-40 -60.77 -39.49 89.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 17.7 ttt180 -62.19 -48.97 77.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.6 ptm -72.81 -47.57 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.5 ttt180 -56.99 -48.36 78.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.7 ptm -72.22 -42.51 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.07 -48.5 78.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.4 mm-40 -80.07 -53.8 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -41.67 -22.85 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 102.18 54.66 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -42.28 -27.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.5 t 52.9 14.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 58' ' ' VAL . 6.7 t 77.26 -47.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.57 -47.58 69.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 9.6 m-20 -61.66 -33.21 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.09 -53.55 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.4 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -50.4 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -79.02 -41.4 29.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 63' ' ' TYR . 11.2 mt -40.23 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' PHE . 41.2 mm-40 -53.75 -20.88 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.7 mm-40 -67.91 161.03 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.99 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -90.07 -161.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 97.95 -0.79 59.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 3.0 m120 62.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.514 ' SD ' ' HA ' ' A' ' 39' ' ' SER . 11.6 ptm 177.54 161.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.8 t70 -110.6 172.57 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -133.82 25.69 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 p -105.21 11.68 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.23 31.54 2.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -152.55 134.58 14.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 44.0 m-85 -119.59 160.36 22.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -66.49 145.84 55.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.101 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.3 -27.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.626 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.4 mt-30 -61.6 -26.92 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 4.3 m -61.26 -38.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.821 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.39 -36.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.464 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 31.9 t -64.81 -44.92 88.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.35 -39.43 90.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.803 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.95 -35.17 66.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.929 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.54 -50.75 57.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.56 -44.96 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.1 m -73.31 -20.15 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.7 m95 -82.4 -21.52 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.53 -48.46 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.23 170.85 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.87 157.94 36.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 170' ' ' VAL . 17.0 tp -124.64 132.59 53.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.644 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -140.56 158.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.98 130.74 44.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 167' ' ' ILE . 6.0 t80 -81.92 -38.03 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.877 ' HB2' HD23 ' A' ' 98' ' ' LEU . 10.2 m120 -33.64 -52.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -15.01 106.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.25 20.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 15.8 mt-10 -71.34 -46.84 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.706 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.1 m-85 -67.2 -46.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.3 mt-30 -55.49 -46.71 76.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -63.98 -40.32 96.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.1 mt -65.45 -24.61 67.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 10.8 mtt180 130.43 62.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.706 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.2 119.58 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.9 OUTLIER -106.79 153.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.465 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.1 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.766 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.15 -18.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.8 m-20 -66.09 -10.08 37.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.84 ' HG2' HG22 ' A' ' 169' ' ' VAL . 9.2 tp10 -91.36 150.48 21.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 130' ' ' LYS . 2.0 tmt_? -88.56 -26.22 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.435 ' OG ' HD11 ' A' ' 27' ' ' LEU . 12.2 t -149.71 113.45 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.058 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.095 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.7 154.79 28.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.646 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.8 mt -127.74 144.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -126.57 147.03 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.5 t-20 -129.58 118.81 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.5 OUTLIER -114.04 107.85 16.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER 33.85 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 3.3 tm-20 74.63 -86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -52.13 132.08 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.5 p-90 -129.21 164.8 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.673 ' CD2' HD23 ' A' ' 141' ' ' LEU . 1.3 m-85 -129.11 162.38 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.523 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.13 122.01 44.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.095 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.7 t -106.51 129.33 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 153.83 46.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.692 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.9 mptt -85.06 110.76 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -95.14 120.58 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 183' ' ' LEU . . . 57.78 -96.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 13.75 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.42 148.56 50.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.692 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 0.7 OUTLIER -75.17 128.64 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.004 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.9 m-85 -128.26 136.51 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.673 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -96.9 142.17 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.748 HD21 ' HE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -144.4 146.04 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 142' ' ' LEU . 11.1 t-20 166.17 -70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.51 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.673 HD23 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.9 -23.06 64.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.68 -5.27 51.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.51 22.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.604 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 151.54 -163.14 29.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.452 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.99 97.65 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 142' ' ' LEU . 0.8 OUTLIER -84.72 125.6 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.555 ' CD2' ' CE1' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -80.34 124.58 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 137' ' ' ASN . 17.2 mt -123.3 123.86 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 147.82 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.554 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -55.41 -31.59 61.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.53 -12.86 55.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -99.57 -45.99 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.766 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.95 -48.87 69.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.71 -36.78 81.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -63.99 -49.95 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.614 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.7 mt -60.4 -34.99 74.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.22 95.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.552 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.51 -48.36 81.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.885 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.93 -35.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' A' ' 161' ' ' GLN . 0.8 OUTLIER -63.66 -46.66 84.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.29 -27.62 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.31 -33.53 67.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.691 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.86 -96.44 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.691 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.29 121.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 175.58 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.885 ' CG1' HD11 ' A' ' 160' ' ' LEU . 13.5 mt -134.86 128.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.101 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -116.47 122.3 44.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.1 t -95.45 125.96 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 96' ' ' LEU . 19.1 t -86.66 113.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.644 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -116.81 144.29 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 125.92 -156.6 19.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.563 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.2 m-20 -93.77 118.62 31.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -104.11 129.4 25.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.808 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 128.93 11.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 175' ' ' PRO . 22.9 p30 -51.26 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 29' ' ' GLN . 30.4 p -161.47 178.53 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mm-40 -53.33 -42.53 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.762 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.54 -38.21 68.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.813 ' O ' HD22 ' A' ' 183' ' ' LEU . 45.3 t0 -58.23 -34.94 70.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -39.57 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.806 HD11 ' O ' ' A' ' 8' ' ' SER . 11.9 mt -62.43 -30.47 71.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.95 -25.41 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -179.94 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 1.5 mtt -39.59 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.654 HD11 ' CA ' ' A' ' 1' ' ' GLY . 3.6 mp -81.32 -102.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 188' ' ' VAL . 5.1 ttt180 -50.72 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 187' ' ' ARG . 47.7 t -158.9 136.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -153.2 -60.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.888 ' HG3' HD11 ' A' ' 186' ' ' ILE . 18.1 Cg_endo -75.07 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.56 -51.77 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.45 97.99 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.765 ' O ' HD13 ' A' ' 182' ' ' LEU . 82.1 p -56.64 -36.81 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.709 ' HA ' HD12 ' A' ' 9' ' ' ILE . 9.6 mtt -55.46 -11.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 8' ' ' SER . 17.6 pt-20 -53.42 -38.84 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.638 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -142.66 48.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.76 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 3.1 mt -83.99 123.45 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.76 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 21.8 p90 164.31 -167.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.774 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 1.6 t60 -112.88 132.91 55.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' O ' ' A' ' 11' ' ' HIS . 1.2 pt-20 -41.26 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 3.1 ttmt -88.16 132.36 34.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -136.01 132.04 35.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 14' ' ' GLN . 1.6 mt-10 -46.24 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.82 -132.04 1.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 79.9 p -164.95 96.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -137.68 -54.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.689 ' H ' HD23 ' A' ' 18' ' ' LEU . 74.6 m -115.31 174.05 6.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.762 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.24 -24.22 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.53 -25.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -72.62 -42.94 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -71.3 -44.77 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 85' ' ' ILE . 27.6 tp -60.3 -45.97 91.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 1.5 m120 -60.53 -42.3 96.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -26.85 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 24' ' ' LEU . 7.5 tp -75.06 -47.4 29.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 48.9 73.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.774 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -165.16 -51.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 14' ' ' GLN . 6.1 tt0 84.49 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.769 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.6 m-85 -138.57 53.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -158.52 142.84 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -120.87 -180.0 0.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.96 -47.58 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.0 -36.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.4 mt-10 -67.24 -49.25 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 21' ' ' GLN . 2.6 mt -58.63 -42.76 89.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.494 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -61.52 -46.06 91.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.56 85.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -62.05 -47.89 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.077 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -57.41 -47.08 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.0 m170 -68.07 -40.23 82.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' A' ' 48' ' ' GLU . 20.5 mt-30 -70.03 -34.73 73.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.077 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -65.74 -47.42 75.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -60.79 -45.18 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.0 tt0 -73.69 -46.17 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.4 tt0 -67.01 -53.48 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.728 ' HG3' HD12 ' A' ' 45' ' ' LEU . 1.1 mm-40 -59.62 -39.77 85.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.9 ttp180 -61.64 -49.12 77.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.2 ptm -73.22 -45.99 52.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.11 -50.25 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 58' ' ' VAL . 4.0 ptm -71.03 -41.55 70.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.08 -48.88 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.1 mm-40 -65.02 -56.59 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.53 -12.19 4.49 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 98.02 -22.3 41.59 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.4 p 49.71 8.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.586 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER 36.99 19.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.36 -49.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 59' ' ' THR . 31.9 mm-40 -53.43 -47.97 69.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.44 -33.76 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.71 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -71.13 -53.29 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -66.7 -27.93 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -49.39 49.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -78.69 -38.37 39.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.3 mt -45.24 -23.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 15.5 mm100 -61.9 -30.58 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.6 mt-30 -60.57 161.63 13.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.03 159.51 41.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -108.45 -141.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . 101.51 -10.29 57.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.643 ' O ' ' O ' ' A' ' 74' ' ' MET . 8.1 m-80 38.13 55.34 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 73' ' ' ASN . 10.3 ptm 49.47 151.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 14.6 m-20 -110.65 -177.97 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.55 -22.03 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -54.58 -26.23 31.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 136.8 56.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.98 130.54 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 52.7 m-85 -104.59 159.09 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.972 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.25 146.63 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.032 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.84 -27.53 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.74 ' NE2' HG22 ' A' ' 82' ' ' ILE . 23.2 mp0 -62.21 -27.23 68.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 81' ' ' SER . 3.8 m -61.09 -40.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.979 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -61.31 -45.3 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -56.78 -45.28 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.613 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.5 m-80 -60.75 -38.34 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.36 -32.31 66.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.778 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.42 -50.91 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.72 -35.12 79.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' HE3' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -76.42 -21.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 4.6 m95 -87.63 -21.11 25.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -35.96 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.778 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -90.37 170.34 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 171' ' ' LYS . 3.6 pt-20 -133.19 152.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.92 HD11 ' CB ' ' A' ' 168' ' ' PHE . 10.6 tp -125.02 134.45 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.581 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.8 pp -136.54 159.41 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.761 HD23 ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -64.29 129.67 40.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 23.6 t80 -85.0 -43.62 13.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.657 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -35.67 -39.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 t -26.2 108.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.62 19.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.2 tt0 -72.38 -46.81 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.711 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.2 m-85 -66.9 -46.84 73.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.8 mt-30 -55.23 -46.72 76.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.84 -41.29 97.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -64.69 -24.55 67.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.8 mtt-85 130.08 63.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.711 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 119.12 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.74 154.19 40.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.98 -39.84 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -79.2 -26.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.0 m-20 -52.17 -20.35 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.504 ' CD ' HG13 ' A' ' 169' ' ' VAL . 7.2 tp10 -89.98 147.17 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -93.49 -5.58 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -163.07 113.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.172 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -121.47 158.56 28.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mt -121.97 143.37 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.566 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -127.49 139.94 52.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.287 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -131.55 124.51 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.617 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -114.13 108.01 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.03 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.8 -91.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.0 tt0 -103.43 111.06 23.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.5 t-160 96.47 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.578 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.815 ' CH2' HD13 ' A' ' 85' ' ' ILE . 47.1 p-90 -128.99 165.19 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 107.968 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.547 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.56 162.45 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.72 133.46 55.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.172 HG21 ' CE2' ' A' ' 117' ' ' PHE . 24.7 t -116.33 122.05 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -123.22 153.41 40.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 3.0 ttpt -85.48 105.3 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.624 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -90.2 122.35 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.843 ' O ' HD12 ' A' ' 183' ' ' LEU . . . 69.34 -78.88 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -156.78 23.76 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 133' ' ' LYS . 73.0 mm-40 -140.54 153.86 46.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.525 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.45 116.18 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.015 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.617 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.4 m-30 -112.95 135.64 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.513 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -87.72 140.29 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.8 mt -148.61 144.19 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 140' ' ' SER . 7.9 t-20 165.82 -59.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 159.98 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.719 HD23 HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -73.22 -25.17 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.719 HD13 HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -89.12 -4.61 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 47.48 24.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.663 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 147.32 178.8 22.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.62 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.09 123.95 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.602 ' HG ' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -68.09 123.39 20.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 137' ' ' ASN . 15.5 mt -105.81 137.72 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.7 150.78 26.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -55.0 -40.69 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -84.12 -3.35 58.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.445 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -99.93 -49.61 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.23 70.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -66.13 -42.74 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.0 -37.03 85.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.706 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -63.65 -51.62 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.5 mt -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.95 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.7 -48.41 80.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.75 -35.54 81.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.426 ' HB3' HE21 ' A' ' 161' ' ' GLN . 1.0 OUTLIER -64.89 -46.44 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.25 -25.24 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.67 -33.68 60.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.713 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.64 -97.82 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.713 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.87 108.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -173.75 77.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.9 mt -134.88 134.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.032 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -124.23 122.04 36.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -93.31 123.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.651 HG22 HD13 ' A' ' 96' ' ' LEU . 2.5 t -87.81 115.02 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.581 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -125.36 133.2 52.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 149.09 -145.8 14.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.703 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.5 m-20 -95.47 120.2 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.854 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.58 132.36 21.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.854 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -176.77 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.86 -151.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.1 pt-20 -52.93 -42.61 65.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -56.02 -41.77 75.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.36 -35.0 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 185' ' ' MET . 1.3 tt0 -74.42 -39.84 62.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 5' ' ' SER . 36.1 mt -65.23 -27.12 68.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 132' ' ' GLY . 3.4 tt -56.63 -39.22 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.812 ' HB2' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER 175.79 -45.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 1.6 ttm -60.19 79.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.888 HD11 ' HG3' ' A' ' 2' ' ' PRO . 38.8 mm -77.52 155.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 188' ' ' VAL . 0.0 OUTLIER 54.43 105.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 187' ' ' ARG . 3.0 m -151.35 -50.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -175.09 84.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.3 Cg_endo -75.01 -13.04 21.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 86.82 -59.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.93 132.18 4.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.702 ' O ' HD13 ' A' ' 182' ' ' LEU . 6.1 p -74.55 -48.49 26.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.785 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.87 -14.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.97 -21.69 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 182' ' ' LEU . 4.7 t -137.04 37.28 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.6 mt -90.6 139.17 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CD1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER 82.72 125.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.756 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -112.65 135.82 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -162.56 108.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.638 ' HD2' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -99.36 -55.51 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 4.1 pp0? -89.68 157.71 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 14' ' ' GLN . 4.8 mt-10 -96.25 134.35 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -170.05 30.04 0.14 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 22' ' ' HIS . 4.7 t -74.75 114.76 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.719 HD12 ' SG ' ' A' ' 19' ' ' CYS . 3.6 pp -174.62 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' HD12 ' A' ' 18' ' ' LEU . 20.5 m -115.42 174.5 5.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 108.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.45 -24.37 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.82 -33.49 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 21.5 t60 -56.55 -48.57 77.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.77 -37.04 83.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.914 HD22 HG13 ' A' ' 85' ' ' ILE . 32.0 tp -62.71 -45.81 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.5 -44.92 92.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.66 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 2.0 t30 -70.94 -39.38 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.38 -45.43 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -76.3 -1.25 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 2.9 pt20 34.09 54.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.756 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -171.18 -32.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' A' ' 13' ' ' LYS . 1.2 mt-10 77.23 -117.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 1.8 m-85 64.28 28.56 13.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.821 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -140.78 154.86 46.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -128.12 175.66 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.041 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.03 -45.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.66 -41.17 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 18.3 mt-10 -58.64 -40.53 83.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 HG21 ' A' ' 84' ' ' VAL . 2.9 mt -58.47 -45.71 88.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -59.81 -45.97 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -67.39 -42.94 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.53 -45.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -58.73 -45.63 89.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' SER . 9.9 m170 -68.37 -42.77 78.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.12 -36.71 82.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -67.7 -43.28 80.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.8 tt0 -74.29 -34.73 63.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -77.2 -50.98 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.2 tp10 -62.52 -36.19 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.585 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 28.5 ttt180 -70.73 -48.73 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.571 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.7 ptm -72.76 -49.62 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -56.18 -47.27 78.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 58' ' ' VAL . 5.8 ptm -72.92 -40.19 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -66.94 -48.28 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' CG ' ' O ' ' A' ' 51' ' ' MET . 2.4 mm-40 -63.39 -58.17 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.45 -12.41 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 97.42 -20.35 51.06 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.688 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.3 p 49.87 8.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER 37.57 19.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER 65.93 -50.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 59' ' ' THR . 7.7 mt-10 -53.24 -47.54 68.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.23 -33.79 67.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.688 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -70.53 -53.34 16.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.52 -27.78 68.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.3 -48.82 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -78.46 -42.66 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.1 mt -39.8 -27.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.5 mm100 -53.67 -36.55 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.619 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -60.92 164.13 8.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.09 131.01 13.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.6 p -95.56 -148.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 91.54 8.66 63.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.4 m-80 63.98 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.3 ptm 174.83 172.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 17.2 t0 -110.32 -177.05 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -149.94 24.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -105.95 10.06 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.76 41.9 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -166.32 138.68 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 39.4 m-85 -116.41 158.89 22.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.846 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.6 t -67.59 139.23 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -60.23 -27.03 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.812 ' HB3' HD21 ' A' ' 45' ' ' LEU . 29.9 mm-40 -61.65 -26.12 67.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.888 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.8 m -61.2 -39.58 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.914 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -63.32 -36.98 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 96' ' ' LEU . 40.6 t -65.17 -43.79 90.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -60.77 -41.05 94.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.25 -33.76 72.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.99 -49.29 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.7 ptmt -56.95 -46.35 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 87' ' ' ASN . 14.8 m -71.74 -22.64 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.01 -20.51 41.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.33 3.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.9 OUTLIER -90.73 170.13 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.03 155.66 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.62 125.96 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.67 158.77 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.2 148.08 52.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.863 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.3 t80 -94.79 -46.58 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.755 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 2.3 m120 -29.2 -54.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.666 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -10.96 102.48 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.9 tt0 -73.57 -46.85 44.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.645 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.0 m-85 -67.86 -46.19 72.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.0 mt-30 -55.1 -46.4 75.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.83 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.54 -24.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.0 ptt180 131.71 60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.645 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.82 119.28 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 1.4 m-20 -106.5 154.32 39.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.98 -36.39 2.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.53 -25.1 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.5 m-20 -60.15 -15.28 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -94.44 110.4 22.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.05 -33.14 64.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.74 114.77 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.148 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -123.68 155.24 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 96' ' ' LEU . 2.4 mt -126.33 143.14 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.495 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -127.28 146.36 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.6 OUTLIER -136.36 125.39 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.97 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 36.23 -90.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.604 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -103.85 111.87 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.9 t-160 96.25 138.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.794 ' CH2' HD13 ' A' ' 85' ' ' ILE . 45.2 p-90 -129.03 164.83 22.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.033 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.04 157.24 42.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.437 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.75 134.88 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.148 HG21 ' CE2' ' A' ' 117' ' ' PHE . 16.5 t -119.34 125.06 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.591 HH22 HD23 ' A' ' 131' ' ' LEU . 6.1 ptm180 -124.88 147.84 48.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.42 111.09 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.799 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 2.2 tm? -100.58 122.07 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.773 ' O ' HD23 ' A' ' 183' ' ' LEU . . . 69.67 -81.17 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' OE1' ' A' ' 134' ' ' GLN . 2.5 tttp -153.88 21.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 0.9 OUTLIER -135.36 159.8 40.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -96.86 119.83 36.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.81 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 1.4 m-85 -116.68 133.48 55.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -87.94 150.1 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.735 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -154.04 142.37 20.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 140' ' ' SER . 11.4 t-20 169.41 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.2 t 155.36 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -73.33 -29.98 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.735 HD21 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -92.47 -5.09 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 44.47 26.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.435 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.584 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.48 -178.16 33.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 138' ' ' LEU . 18.4 Cg_endo -75.0 64.53 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.19 103.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.81 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 1.4 tp -57.84 134.2 56.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 137' ' ' ASN . 61.2 mt -113.5 148.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 156.31 17.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.551 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.6 OUTLIER -59.96 -38.97 84.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.9 t -83.51 -2.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.4 -50.8 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.618 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.1 tm? -54.0 -47.66 71.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.82 84.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -64.11 -39.25 93.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.911 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.09 -51.53 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -60.59 -34.34 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.03 87.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.8 -49.29 68.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.955 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.04 -35.43 81.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.1 mt-30 -64.36 -46.63 82.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -70.75 -25.69 63.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -76.23 -31.53 58.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.45 -97.36 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.755 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 157.52 114.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -177.35 70.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.955 ' CG1' HD11 ' A' ' 160' ' ' LEU . 18.3 mt -130.07 136.83 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -124.42 143.2 50.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 99' ' ' PHE . 25.3 m -111.45 122.92 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 94' ' ' LEU . 2.5 t -88.4 110.51 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.01 134.79 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 147.54 -149.0 21.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.67 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -91.06 119.89 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.909 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.4 OUTLIER -101.02 134.13 20.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.909 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 161.36 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.491 ' CG ' ' N ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -108.0 169.39 8.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 0.6 OUTLIER -172.2 -148.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.251 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 3.8 mm-40 -66.19 -39.17 89.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.799 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.31 -39.03 69.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.467 ' CB ' ' OD2' ' A' ' 176' ' ' ASP . 8.4 t70 -58.5 -39.96 81.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.596 ' HG3' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.12 -28.1 61.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 5' ' ' SER . 85.0 mt -72.05 -29.98 64.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 132' ' ' GLY . 1.4 tm? -57.04 -47.63 80.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -102.86 -93.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.72 ' HB3' HD13 ' A' ' 186' ' ' ILE . 53.9 mtt -128.57 -89.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.72 HD13 ' HB3' ' A' ' 185' ' ' MET . 0.1 OUTLIER -137.18 -124.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.59 109.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.22 126.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -155.24 -57.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 185' ' ' MET . 18.3 Cg_endo -75.04 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.86 -51.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.4 132.06 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.871 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.98 -48.46 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.484 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 ttm -62.47 -5.3 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.15 -14.12 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.724 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.07 40.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 7.5 mt -94.03 123.68 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.605 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 4.1 p90 171.25 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.823 ' HE2' ' C ' ' A' ' 13' ' ' LYS . 1.4 t60 -111.91 135.27 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.08 -101.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.823 ' C ' ' HE2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -97.79 95.17 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.667 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -97.97 139.86 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.667 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -148.47 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 14' ' ' GLN . . . 161.32 115.12 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 17.2 m -143.21 94.74 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.3 pt? -151.33 -46.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.703 ' H ' HD23 ' A' ' 18' ' ' LEU . 90.3 m -114.28 174.64 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.814 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.37 -23.96 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.823 ' OE1' HD23 ' A' ' 24' ' ' LEU . 7.0 tp-100 -46.45 -24.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 4.4 t60 -64.13 -55.98 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.551 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 1.4 m -60.54 -38.61 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.823 HD23 ' OE1' ' A' ' 21' ' ' GLN . 31.8 tp -60.92 -35.77 77.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 21.9 m120 -67.95 -45.16 75.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.68 -31.84 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.5 -47.19 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.789 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -76.9 -1.88 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.631 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 54.2 tt0 98.68 -54.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -129.59 168.03 21.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -61.03 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-30 71.38 4.06 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -133.71 148.33 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -121.37 -179.31 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -74.98 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.82 -37.81 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 3.3 mt-10 -65.9 -42.0 90.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 ' CD2' ' A' ' 80' ' ' PHE . 5.1 tp -64.52 -43.86 92.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.488 ' OG ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.36 -45.55 87.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -68.3 -38.37 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.63 -47.79 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.02 -47.07 87.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.548 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 19.8 m170 -64.57 -47.78 77.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -61.86 -34.49 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -65.52 -44.61 86.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 8.1 t70 -60.43 -44.19 96.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 51' ' ' MET . 74.2 mt-10 -73.29 -47.07 45.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.9 tt0 -68.97 -51.7 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.2 tt0 -59.78 -39.59 85.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 ttt180 -62.09 -48.98 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.3 ptm -72.36 -44.42 62.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 51' ' ' MET . 3.1 tpp180 -60.66 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.2 ptm -72.4 -41.14 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.01 -48.84 72.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -77.65 -53.11 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.75 -20.31 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 95.97 58.73 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.912 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.6 p -50.92 -22.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.9 t 51.65 15.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.4 t 79.53 -43.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.77 -47.34 70.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.903 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.912 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.45 -53.61 22.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.1 mtp180 -66.9 -27.32 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -49.7 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.45 -44.88 23.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.6 mt -36.44 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 12.6 mm100 -51.01 -20.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.585 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -73.0 158.82 86.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.2 Cg_endo -75.01 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -60.3 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' PRO . . . -59.91 -24.39 60.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.846 ' O ' ' HB3' ' A' ' 74' ' ' MET . 2.1 m120 -50.11 -62.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.846 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 20.3 ptm 123.64 165.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.598 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 19.2 t0 -110.61 -176.25 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -143.61 27.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -114.93 12.56 16.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.489 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 105.84 42.99 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -164.42 129.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.743 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.2 m-85 -104.44 156.98 17.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.787 ' O ' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -67.42 139.66 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -56.16 -27.39 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.565 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 31.2 mm-40 -62.09 -24.97 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.048 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.5 m -60.52 -42.89 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.837 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.58 -44.46 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 48.1 t -56.75 -45.26 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.882 HD21 HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -61.47 -38.05 85.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -73.06 -36.9 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 96' ' ' LEU . 4.1 mt -65.46 -50.39 65.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.4 m -71.54 -19.78 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.789 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -83.92 -20.59 32.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.059 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.22 -38.99 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.974 HD12 HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -90.53 170.39 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 171' ' ' LYS . 7.6 pt-20 -125.53 149.8 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.59 125.53 44.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.653 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.4 pp -136.15 158.25 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.43 148.34 51.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.967 ' HB2' HG13 ' A' ' 169' ' ' VAL . 26.5 t80 -96.53 -43.49 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.857 ' ND2' ' CE2' ' A' ' 165' ' ' TYR . 1.1 t30 -29.58 -49.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.0 t -17.19 103.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.04 -16.54 20.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 18.5 mt-10 -71.75 -47.14 55.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.72 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.8 m-85 -67.42 -46.98 71.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.7 mt-30 -55.33 -47.13 76.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 6.7 mtp180 -63.1 -41.59 99.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.5 mt -64.73 -24.53 67.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 1.2 ptt180 129.73 63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.72 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.97 122.62 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.95 155.64 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.562 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.03 -37.08 2.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.727 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -82.18 -18.78 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 5.8 m-20 -75.5 64.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HG2' ' HB ' ' A' ' 169' ' ' VAL . 0.8 OUTLIER -166.2 169.4 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.612 ' HG3' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -84.13 -38.4 20.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.612 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 1.7 t -157.1 138.13 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.131 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -117.24 154.52 31.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.939 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -122.97 145.06 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -127.36 141.4 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 166' ' ' SER . 3.5 t-20 -129.99 123.46 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.587 ' CD1' ' HE3' ' A' ' 122' ' ' LYS . 1.4 t80 -113.44 109.17 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.587 ' HE3' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER 59.34 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -113.93 -72.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 140.44 54.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -128.85 164.96 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.671 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.5 m-85 -128.82 161.74 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.601 HG23 HD13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -116.08 122.65 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.131 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.6 t -105.46 127.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.26 140.04 52.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.684 ' CD ' ' CE3' ' A' ' 135' ' ' TRP . 6.6 mmtp -84.43 113.65 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.004 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.6 OUTLIER -107.08 122.21 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' HD23 ' A' ' 183' ' ' LEU . . . 63.85 -107.22 1.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 2.84 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.414 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 31.5 mm-40 -117.73 152.54 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.684 ' CE3' ' CD ' ' A' ' 130' ' ' LYS . 1.8 m95 -97.97 126.44 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 4.1 m-85 -122.36 136.79 54.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.716 ' ND2' HG22 ' A' ' 128' ' ' VAL . 1.9 t-20 -88.48 146.91 24.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.584 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -138.5 131.7 30.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.628 ' HB3' HD11 ' A' ' 142' ' ' LEU . 3.3 t-20 179.84 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.9 t 178.31 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -68.67 -19.25 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.691 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -94.1 -3.3 51.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 45.93 26.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 147.57 -169.0 28.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.99 82.01 2.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.66 117.23 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -68.23 123.51 20.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 153' ' ' LEU . 76.8 mt -124.03 113.86 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.66 148.24 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.436 ' HA ' ' NE1' ' A' ' 135' ' ' TRP . 1.6 m-20 -54.96 -32.49 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.2 t -83.64 -20.51 33.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.18 -42.72 13.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.727 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.23 -48.03 71.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.34 -45.51 79.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.914 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -60.53 -48.02 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -61.58 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.32 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.466 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -67.11 -48.28 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.939 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -65.37 -35.22 80.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 167' ' ' ILE . 4.1 mt-30 -63.23 -46.94 84.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.48 -26.44 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -75.9 -29.26 58.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.723 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.11 -100.2 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.857 ' CE2' ' ND2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 158.94 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 174.86 78.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.939 ' CG1' HD11 ' A' ' 160' ' ' LEU . 6.1 mt -135.32 132.95 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.075 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.09 147.3 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.967 HG13 ' HB2' ' A' ' 99' ' ' PHE . 26.3 m -124.28 120.56 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.974 HG23 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.61 110.18 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -111.51 144.8 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 138.32 -145.92 17.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.915 ' O ' HD22 ' A' ' 94' ' ' LEU . 14.4 t0 -103.42 120.6 41.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -96.4 132.81 25.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.768 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 175' ' ' PRO . 4.8 m-20 -43.36 166.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.504 ' CB ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 p -162.37 170.08 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.602 ' OE2' ' CE1' ' A' ' 10' ' ' PHE . 2.0 pt-20 -52.97 -42.86 65.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 1.004 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -59.54 -39.26 83.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.441 ' O ' HD12 ' A' ' 183' ' ' LEU . 4.2 t70 -58.13 -34.79 70.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.532 ' CD ' HG12 ' A' ' 188' ' ' VAL . 49.1 mm-40 -74.69 -43.93 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 5' ' ' SER . 45.7 mt -54.7 -38.51 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -57.27 -33.64 67.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.981 ' N ' HD13 ' A' ' 183' ' ' LEU . 5.0 tt0 -87.84 -145.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.51 ' C ' HD13 ' A' ' 186' ' ' ILE . 4.2 mpp? -141.89 115.26 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 185' ' ' MET . 0.2 OUTLIER 38.04 -146.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.407 ' N ' HG12 ' A' ' 186' ' ' ILE . 5.5 ttp180 56.78 58.72 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.532 HG12 ' CD ' ' A' ' 181' ' ' GLN . 15.2 m -128.69 -171.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -131.63 -50.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.2 Cg_endo -75.03 -16.3 20.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER 84.23 -49.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.89 113.1 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 182' ' ' LEU . 3.8 p -76.12 -48.72 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.757 ' HA ' HD12 ' A' ' 9' ' ' ILE . 28.2 mtp -67.22 -3.36 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.99 -11.94 60.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HD11 ' A' ' 182' ' ' LEU . 4.9 t -154.19 37.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.6 mt -87.53 123.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 158.31 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 5.8 t60 -83.31 135.84 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -64.36 -74.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HB2' ' NE2' ' A' ' 11' ' ' HIS . 25.3 mttm -56.88 -124.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -90.1 159.99 16.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -134.8 90.4 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 22' ' ' HIS . . . -41.1 168.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 70.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD11 ' SG ' ' A' ' 19' ' ' CYS . 1.2 pp -157.49 -54.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 18' ' ' LEU . 1.6 p -116.32 173.88 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -60.94 -24.35 65.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.676 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -46.54 -29.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -57.99 -53.89 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -63.11 -37.71 88.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 89' ' ' LEU . 15.0 tp -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.5 m120 -60.5 -42.2 95.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -74.72 -35.72 62.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' CYS . 1.8 tp -68.08 -45.66 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 92' ' ' TRP . 38.6 mt -74.86 -1.52 22.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER 77.51 -47.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.641 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -118.6 136.15 11.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -53.56 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.295 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 69.5 34.06 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.77 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -158.8 154.15 25.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.58 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -131.55 -177.33 0.67 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -55.91 -37.65 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 4.7 mt-10 -64.74 -42.26 95.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 80' ' ' PHE . 1.6 tp -64.34 -42.47 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.487 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.74 -45.77 88.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.77 -45.56 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.942 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.74 -47.28 87.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 16.2 m170 -68.51 -42.24 78.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.633 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.35 -47.06 85.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.818 HD22 ' OD1' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -62.21 -38.53 89.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 7.1 t70 -60.19 -44.9 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' MET . 18.1 mt-10 -73.64 -42.43 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -72.46 -52.35 16.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.662 ' HB3' HD12 ' A' ' 45' ' ' LEU . 1.1 pp20? -59.47 -39.13 82.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.5 ttm180 -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.3 mtm -71.38 -51.44 24.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.81 -45.97 81.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 3.5 ptm -72.42 -42.41 65.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -68.13 -48.66 64.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.2 pp20? -74.1 -34.41 63.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -72.56 -8.16 70.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 95.08 -31.6 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.947 HG23 ' HB3' ' A' ' 62' ' ' ASP . 3.0 p 48.67 11.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.09 22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER 63.89 -50.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 59' ' ' THR . 11.6 mt-10 -53.49 -47.79 69.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.947 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.85 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.91 -53.73 41.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.2 mmt85 -67.61 -26.92 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -50.47 48.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.25 -41.0 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.644 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.2 mt -39.93 -27.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.8 mm100 -54.17 -33.91 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.508 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -64.56 162.07 38.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.06 152.37 40.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -115.13 -101.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 43.29 43.24 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' C ' ' HG2' ' A' ' 74' ' ' MET . 2.8 m120 64.05 -68.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.639 ' SD ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 ptm 172.75 -82.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 19.3 p-10 -83.05 -175.62 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -167.36 -31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 t -141.37 -66.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.65 59.42 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -168.92 161.51 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.757 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.3 m-85 -120.0 159.45 24.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.89 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.39 149.34 50.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.116 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -64.15 -27.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.808 ' HB3' HD21 ' A' ' 45' ' ' LEU . 40.9 mm-40 -61.62 -25.87 67.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.9 m -60.84 -40.7 86.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.819 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -62.73 -44.34 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 6.4 t -55.93 -45.38 78.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.969 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.46 -41.07 96.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.24 -36.59 69.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.4 mt -67.43 -49.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -57.04 -46.71 82.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -72.97 -20.01 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.72 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -82.2 -20.97 36.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.22 -42.48 1.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.41 166.51 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.9 pt-20 -122.35 156.38 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.89 125.87 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.511 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -133.1 159.44 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.848 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.63 146.28 54.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.911 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.8 t80 -91.75 -51.08 5.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.694 ' O ' ' C ' ' A' ' 101' ' ' SER . 32.2 m120 -23.85 -65.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.732 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 2.2 t -2.56 104.85 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -14.53 21.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.0 mt-10 -72.26 -46.34 56.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.658 ' O ' HD13 ' A' ' 109' ' ' ILE . 2.1 m-85 -70.12 -46.84 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 101' ' ' SER . 83.8 mm-40 -53.87 -47.5 70.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -35.14 70.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -62.5 -25.29 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 4.3 ptt180 130.68 53.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.5 mp -126.92 120.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.41 154.65 39.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.744 ' CB ' HD12 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.97 -33.19 4.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.605 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.76 -23.44 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -68.38 -9.29 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.611 ' HG3' HG12 ' A' ' 169' ' ' VAL . 64.0 mm-40 -87.81 113.07 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 116' ' ' SER . 0.2 OUTLIER -60.39 -19.95 57.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -156.77 112.0 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.122 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.33 157.61 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 82' ' ' ILE . 6.2 mt -128.22 140.49 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -122.01 146.72 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.588 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -129.37 121.51 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -113.95 107.79 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER 32.96 86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 77.9 -84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -54.83 133.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -129.37 165.37 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.49 161.44 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.14 128.05 55.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.122 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.2 t -114.3 121.19 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.495 ' NH2' ' CD2' ' A' ' 138' ' ' LEU . 16.2 ptt180 -120.76 152.42 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -94.94 126.56 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.97 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -115.59 121.37 42.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.05 -89.87 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.39 22.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.496 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 25.2 mm-40 -132.63 159.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 6.8 m95 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 5.5 m-85 -131.75 134.24 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.556 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -90.85 145.5 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.495 ' CD2' ' NH2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -143.07 139.19 30.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.569 ' H ' HD21 ' A' ' 142' ' ' LEU . 28.5 t-20 172.08 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.1 p 172.19 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -69.08 -22.26 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.81 -3.62 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.29 26.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.351 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.601 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.47 -165.11 27.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 93.87 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.88 112.3 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -67.36 123.22 19.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.623 HG22 ' HB2' ' A' ' 153' ' ' LEU . 43.2 mt -117.75 116.01 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.39 146.02 36.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.52 ' O ' HG21 ' A' ' 112' ' ' ILE . 3.9 m-20 -55.06 -31.69 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.74 -23.03 31.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -85.02 -45.73 11.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HB2' HG22 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -54.0 -48.04 70.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -65.69 -43.85 87.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.31 -36.72 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.78 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.52 -51.56 59.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.744 HD12 ' CB ' ' A' ' 111' ' ' PRO . 10.4 mt -58.28 -34.89 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.41 87.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.502 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.9 -48.5 81.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.92 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.62 -37.13 82.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -61.51 -46.63 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -70.97 -29.01 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.76 -28.96 62.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.86 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.699 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.27 108.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.4 OUTLIER -166.37 69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.995 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.92 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.0 mt -134.92 136.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.116 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 141.71 51.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.911 HG13 ' HB2' ' A' ' 99' ' ' PHE . 34.0 m -108.87 124.57 65.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.568 HG12 HD12 ' A' ' 94' ' ' LEU . 3.8 t -86.96 110.24 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -115.05 141.23 48.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 135.03 -151.98 20.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -94.7 118.8 32.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -102.19 132.28 21.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.99 -168.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -135.43 159.13 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.51 -171.77 3.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 2.7 mm-40 -52.67 -37.98 59.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.97 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -55.6 -33.61 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.408 ' HA ' HD23 ' A' ' 183' ' ' LEU . 7.9 t70 -58.58 -40.72 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -80.02 -25.21 40.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 179' ' ' ALA . 86.2 mt -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.6 OUTLIER -62.13 -44.94 95.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 185' ' ' MET . 0.9 OUTLIER -153.96 -79.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.512 ' C ' ' O ' ' A' ' 184' ' ' GLN . 4.7 ttt -26.76 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' ' 187' ' ' ARG . 3.5 mp -85.46 -102.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.588 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.0 OUTLIER 57.68 91.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.02 116.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -174.45 76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.3 Cg_endo -74.95 -17.36 19.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER 86.44 -51.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.02 98.28 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 182' ' ' LEU . 54.3 p -60.82 -33.57 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.781 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.9 mtt -53.39 -9.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 5' ' ' SER . 16.2 pt-20 -52.9 -47.74 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.643 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -130.49 54.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.054 HD13 HD21 ' A' ' 131' ' ' LEU . 10.9 mt -103.21 123.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.714 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 166.24 -139.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.703 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -81.92 135.54 35.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' OE2' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -72.25 -29.28 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -113.54 -102.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.5 pm0 -89.77 153.78 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.46 63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . -58.78 -155.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t 163.33 121.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.047 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp -177.85 -66.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.942 ' N ' HD12 ' A' ' 18' ' ' LEU . 83.9 m -116.01 173.61 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.38 -25.5 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.677 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.75 -33.55 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 t60 -54.69 -51.23 66.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 m -65.68 -37.33 86.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD22 HG13 ' A' ' 85' ' ' ILE . 34.8 tp -62.39 -45.68 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.577 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 30.9 m120 -60.02 -43.84 94.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.592 ' OD1' ' CG ' ' A' ' 11' ' ' HIS . 59.2 m-80 -71.7 -38.43 70.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.852 HD12 ' CD ' ' A' ' 129' ' ' ARG . 3.8 tp -65.39 -43.45 90.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.82 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.2 mp -74.81 -13.29 60.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 29' ' ' GLN . 1.2 tm0? 67.59 100.91 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . 118.92 -88.05 0.43 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER 156.45 -94.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 52.1 41.69 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.681 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.75 143.73 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.041 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -119.02 174.08 3.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.604 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.01 -46.09 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -55.96 -41.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.8 mt-10 -59.95 -41.61 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 80' ' ' PHE . 2.5 tp -59.93 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -58.2 -46.05 86.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -68.72 -48.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.996 ' HA ' HD12 ' A' ' 45' ' ' LEU . . . -58.03 -41.52 83.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' SER . 16.4 m170 -68.96 -41.66 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -70.98 -47.14 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.81 -36.03 82.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 19.9 m-20 -65.52 -44.82 85.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -47.31 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -63.65 -46.24 86.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -65.39 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.5 ttp180 -71.31 -47.48 56.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.536 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 26.9 ptm -71.98 -48.65 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -58.1 -46.67 85.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.562 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.6 ptm -72.54 -39.03 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.45 -48.65 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -71.08 -30.61 66.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.19 -3.95 88.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.11 -32.05 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.743 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.5 p 49.73 8.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.3 t 37.31 19.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.99 -51.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.044 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 9.1 mt-10 -53.2 -47.96 68.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 2.6 m-20 -56.86 -33.08 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.743 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.79 -53.41 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.08 -30.18 70.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.34 -50.29 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -78.99 -28.23 43.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 63' ' ' TYR . 8.5 mt -55.12 -9.74 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 66' ' ' PHE . 60.3 mm-40 -89.51 -1.84 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.633 ' HG2' HD23 ' A' ' 98' ' ' LEU . 8.0 mt-30 -88.53 -49.36 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.06 -171.77 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -37.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' MET . . . -156.06 37.84 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 81' ' ' SER . 82.7 m-20 60.07 -85.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.477 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 19.9 ptm -172.83 157.09 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.47 178.69 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.16 18.14 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -96.98 -0.35 47.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.504 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 127.49 40.87 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.7 128.48 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.684 ' CD2' HD23 ' A' ' 38' ' ' LEU . 29.4 m-85 -110.07 158.57 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.4 OUTLIER -67.78 139.73 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.162 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.78 -27.41 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.555 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -61.88 -25.67 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.995 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.88 -39.11 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.868 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.3 -44.12 94.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 11.3 t -56.1 -45.57 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.817 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -64.37 -38.28 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.681 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.63 -35.5 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.876 HD13 ' CD1' ' A' ' 94' ' ' LEU . 2.0 mt -67.81 -50.11 58.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.29 -45.19 84.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 87' ' ' ASN . 12.0 m -72.29 -22.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.82 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.8 -20.44 39.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.26 -38.09 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.55 169.73 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.5 pt-20 -126.93 153.36 45.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.678 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.5 125.78 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.61 158.85 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.24 133.98 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 40.1 t80 -86.79 -44.02 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.791 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 0.7 OUTLIER -31.71 -48.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.634 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.4 t -16.63 104.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.41 14.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.6 mt-10 -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.657 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.5 m-85 -68.13 -46.52 70.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -55.54 -47.11 76.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -65.1 -40.05 94.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.2 -24.94 67.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.9 OUTLIER 129.85 60.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.657 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.85 118.47 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.604 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.08 154.35 40.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.0 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.781 HG22 HD23 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -77.36 -19.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.604 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -64.39 -16.89 63.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.605 ' HG3' HG22 ' A' ' 169' ' ' VAL . 4.0 mm-40 -89.39 -178.14 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -112.78 -30.8 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.35 131.48 24.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.029 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -131.71 151.95 51.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.782 HD12 HD11 ' A' ' 82' ' ' ILE . 2.1 mt -124.62 142.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 144.56 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -134.93 125.53 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.66 108.33 16.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 36.28 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -103.61 112.06 24.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 5.9 t-160 95.25 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.842 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.6 p-90 -128.86 165.22 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -128.49 161.48 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -114.25 140.09 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.379 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.029 HG21 ' CE2' ' A' ' 117' ' ' PHE . 20.6 t -125.74 128.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.852 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.93 150.23 51.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.599 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -73.17 111.76 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 9' ' ' ILE . 1.2 tp -108.27 121.94 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.474 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.76 -100.26 0.74 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 14.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 134' ' ' GLN . 1.7 mm100 -141.28 160.47 40.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 2.6 m95 -84.63 136.49 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.634 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 -132.87 140.03 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.673 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -91.53 149.65 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -144.24 134.53 24.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.607 ' H ' HD21 ' A' ' 142' ' ' LEU . 25.9 t30 174.81 -72.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.1 t 174.54 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.779 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.47 -23.84 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.779 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.37 -2.85 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.05 27.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.43 -168.05 26.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -54.34 146.05 16.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.19 123.45 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 137' ' ' ASN . 34.0 mt -121.2 125.09 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 151.33 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m-20 -55.85 -34.81 65.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.57 -15.98 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -90.52 -43.22 10.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.781 HD23 HG22 ' A' ' 112' ' ' ILE . 24.0 tp -54.04 -48.43 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.75 -44.43 85.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.99 -35.47 78.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.792 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.82 -48.85 70.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.834 HD12 ' HB3' ' A' ' 111' ' ' PRO . 7.1 mt -60.74 -35.07 75.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.77 88.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.511 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.94 -48.43 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.977 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.64 -35.13 79.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -64.07 -46.88 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.33 -26.67 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.54 -33.67 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.5 -96.6 0.1 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.791 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 158.47 111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -175.27 76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.977 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.5 mt -134.73 132.33 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.162 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -124.05 117.91 25.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 114' ' ' GLU . 0.9 OUTLIER -88.24 123.13 40.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.74 120.71 36.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.36 133.8 51.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 142.52 -157.46 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.931 ' O ' HD22 ' A' ' 94' ' ' LEU . 2.9 m-20 -86.96 119.51 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.834 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.24 132.42 21.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.834 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.95 -179.53 5.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.23 143.8 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 -166.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.64 -37.8 59.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.96 -38.12 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.32 -34.91 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 185' ' ' MET . 75.8 mt-30 -75.52 -39.89 57.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.643 HD11 ' O ' ' A' ' 8' ' ' SER . 16.6 mt -61.75 -30.83 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.584 HD22 ' O ' ' A' ' 183' ' ' LEU . 0.8 OUTLIER -56.62 -45.46 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 186' ' ' ILE . 2.9 mt-30 -145.79 -56.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.484 ' CB ' ' HA ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -53.54 85.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 182' ' ' LEU . 28.0 mm -109.71 158.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -110.26 162.79 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 71.0 t -70.35 -63.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -159.85 101.24 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.2 -63.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.19 130.8 5.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.519 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -75.46 -48.88 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.799 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -55.4 -9.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 5' ' ' SER . 5.0 mm-40 -64.89 -10.1 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -167.16 41.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 6' ' ' MET . 13.9 mt -87.14 123.61 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 156.89 -162.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 4.5 t60 -101.84 135.64 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -75.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 3.8 mttt -55.15 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.681 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -128.7 151.3 49.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' C ' ' HB3' ' A' ' 22' ' ' HIS . 2.5 pm0 -116.49 166.56 11.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -33.59 122.91 0.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.5 m -157.04 -77.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.842 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -73.19 -65.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 4.7 p -115.66 155.42 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.98 -24.54 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.917 ' HB2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.7 -37.22 8.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.64 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 1.3 m-70 -54.9 -56.88 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.45 -33.83 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 85' ' ' ILE . 9.8 tp -67.52 -38.67 84.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLN . 24.1 m-20 -61.45 -44.98 96.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' CG ' ' HB2' ' A' ' 11' ' ' HIS . 62.0 t30 -63.59 -44.07 95.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 24' ' ' LEU . 1.4 tp -63.04 -39.45 94.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.2 -32.75 70.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 27.6 tt0 150.14 -65.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -142.11 -178.13 17.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HG3' ' CD ' ' A' ' 14' ' ' GLN . 4.7 tt0 -76.4 97.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -132.4 38.18 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' HB3' ' HG3' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -159.29 154.57 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.63 170.37 5.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.552 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.0 Cg_endo -75.04 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.84 -37.1 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.7 mt-10 -60.18 -44.08 95.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 21' ' ' GLN . 4.3 mt -57.25 -42.12 80.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -62.98 -45.74 90.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.99 -35.43 76.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -70.95 -47.64 61.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.067 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.25 -47.34 75.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.1 m170 -68.01 -38.09 82.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 42.7 mt-30 -71.96 -34.7 69.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.067 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -68.4 -46.64 69.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.4 t0 -61.0 -44.88 96.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' MET . 14.3 tt0 -74.01 -46.43 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -66.3 -53.67 33.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 45' ' ' LEU . 3.9 mm-40 -59.69 -41.22 90.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.8 ttp180 -60.3 -49.14 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.577 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.1 ptm -73.11 -39.79 65.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -61.24 -51.06 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.694 ' HE2' HG21 ' A' ' 58' ' ' VAL . 9.4 ptm -72.31 -37.38 68.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -69.62 -48.51 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -71.67 -32.11 67.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.34 -5.68 89.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.19 -27.53 11.38 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.719 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 p 48.48 10.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.622 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.35 20.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.719 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 63.43 -50.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -53.13 -47.8 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.26 -33.22 65.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.666 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.99 -53.34 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -28.49 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -70.13 -48.95 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.56 -36.3 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.8 mt -46.29 -22.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 66' ' ' PHE . 27.0 mm-40 -61.47 -31.02 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.1 mt-30 -58.86 161.79 8.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.04 131.74 14.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.2 p -91.14 -152.74 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 98.22 -0.7 58.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 87.4 m-20 62.98 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.665 ' CE ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 ppp? -178.62 158.04 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.472 ' O ' ' SD ' ' A' ' 74' ' ' MET . 36.9 t0 -110.93 164.82 12.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.25 -1.36 12.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 p -75.23 -8.33 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . 121.15 42.28 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -152.49 134.22 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.665 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 77.7 m-85 -119.45 160.36 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.964 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.26 139.75 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.19 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -63.86 -26.85 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.32 -24.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' SER . 8.0 m -61.32 -37.59 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.867 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -68.18 -37.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 22.8 t -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 4.0 m-80 -65.34 -40.33 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -71.03 -35.05 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.962 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.78 -50.59 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.58 -43.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.0 m -75.65 -20.13 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -84.98 -21.15 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.66 -52.62 0.75 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.039 ' H ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -89.59 171.1 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 159.76 32.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.222 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.59 125.6 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.631 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -132.6 158.95 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.86 138.83 58.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' O ' ' C ' ' A' ' 100' ' ' ASN . 25.8 t80 -90.07 -47.09 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.806 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -27.65 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -21.79 106.73 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.02 -14.88 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.03 -46.89 55.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.64 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.7 m-85 -68.02 -46.79 70.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -54.98 -47.0 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -64.63 -40.97 96.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -63.27 -25.08 68.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER 129.76 64.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.64 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.9 117.48 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.478 ' CB ' ' CG ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -107.77 153.58 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.88 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.01 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.86 -18.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.478 ' CG ' ' CB ' ' A' ' 110' ' ' ASP . 7.8 m-20 -59.98 -15.05 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 2.2 tp10 -94.95 -176.93 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -122.5 -11.14 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.47 114.39 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.742 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -113.99 158.24 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.671 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -128.64 133.48 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 24.2 m -120.91 147.64 45.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.9 OUTLIER -129.34 118.0 21.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -113.93 108.11 16.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 36.83 87.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 2.3 mp0 71.85 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -53.76 133.79 42.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.823 ' CH2' HD13 ' A' ' 85' ' ' ILE . 35.1 p-90 -129.18 164.46 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' HD22 ' A' ' 141' ' ' LEU . 32.7 m-85 -130.28 162.36 29.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.1 133.7 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 117' ' ' PHE . 5.8 t -113.5 127.45 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.534 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 1.8 ttp85 -123.56 157.35 33.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 17.1 pttt -85.44 128.93 34.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.802 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -111.44 92.52 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.618 ' HA2' HD13 ' A' ' 183' ' ' LEU . . . 69.5 -82.97 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.99 19.73 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CB ' HD22 ' A' ' 147' ' ' LEU . 88.1 mm-40 -141.24 131.66 25.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.673 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -82.95 131.75 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.006 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.972 ' HB3' HD23 ' A' ' 147' ' ' LEU . 6.2 p90 -135.17 138.04 43.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.47 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.8 OUTLIER -73.98 147.4 43.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.743 HD23 ' CE2' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -142.37 137.77 30.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.512 ' H ' HD13 ' A' ' 138' ' ' LEU . 1.2 t30 169.34 -74.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.8 OUTLIER 159.83 31.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.699 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -103.85 -28.38 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.877 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -103.05 1.67 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.47 21.36 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.854 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -179.48 158.73 22.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.448 ' HB2' ' HE3' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.96 88.74 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.71 115.5 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 136' ' ' PHE . 34.6 mt -68.38 131.89 46.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 135' ' ' TRP . 87.1 mt -106.48 113.92 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.25 144.1 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 1.5 m-20 -55.21 -31.89 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.63 -16.75 43.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -90.39 -42.63 10.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.647 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -54.18 -48.32 71.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.95 -45.93 79.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.55 -35.63 78.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.844 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -66.23 -48.6 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.88 HD12 ' HB3' ' A' ' 111' ' ' PRO . 9.8 mt -59.44 -36.51 76.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.69 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.84 -48.56 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -67.76 -38.58 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.4 mt-30 -62.27 -45.8 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 159' ' ' GLN . 5.8 pt20 -71.09 -28.37 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.42 -29.01 61.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.89 -98.56 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.806 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 158.26 117.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 177.73 73.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.903 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -135.15 138.31 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.19 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 137.43 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.61 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -106.24 127.17 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 89' ' ' LEU . 4.6 t -89.56 119.88 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.631 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.25 142.78 51.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.545 ' O ' ' NH2' ' A' ' 115' ' ' ARG . . . 131.57 -159.2 23.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.4 t70 -89.59 118.6 29.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -105.11 133.81 19.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.77 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -124.83 160.43 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.33 -170.5 3.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 0.6 OUTLIER -62.79 -42.54 99.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.59 80.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.71 -35.03 72.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 185' ' ' MET . 61.9 mt-30 -71.67 -43.41 66.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 8' ' ' SER . 29.4 mt -60.47 -33.9 73.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.1 OUTLIER -56.97 -48.15 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.662 ' HG3' HD12 ' A' ' 183' ' ' LEU . 27.9 mt-30 -161.31 -70.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.432 ' HG2' HG21 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -36.75 117.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.455 HG22 ' CD ' ' A' ' 187' ' ' ARG . 3.0 mp -105.45 -95.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.455 ' CD ' HG22 ' A' ' 186' ' ' ILE . 0.0 OUTLIER -87.67 82.83 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 185' ' ' MET . 5.3 m -145.75 65.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -179.7 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.47 -51.55 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.19 119.97 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.487 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.3 OUTLIER -72.2 -48.67 41.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.739 ' HG3' HD12 ' A' ' 9' ' ' ILE . 8.1 mtt -52.57 -16.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.13 -25.88 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -157.81 52.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.739 HD12 ' HG3' ' A' ' 6' ' ' MET . 6.3 mt -90.03 123.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 165.1 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.618 ' CD2' ' HG3' ' A' ' 12' ' ' GLU . 9.1 t-160 -112.99 135.5 53.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.618 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 1.2 pt-20 -40.56 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -87.0 124.82 33.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.511 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 4.7 tp60 -135.84 118.03 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -36.87 -74.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . -160.12 -95.45 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 2.5 p 158.38 93.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.9 pp -126.42 -52.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' N ' HD12 ' A' ' 18' ' ' LEU . 26.6 p -115.49 173.87 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.751 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.66 -24.59 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.82 -34.16 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 23' ' ' CYS . 4.6 p-80 -61.98 -46.54 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.542 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.11 -38.97 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD22 HG13 ' A' ' 85' ' ' ILE . 25.9 tp -60.21 -46.37 89.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -61.19 -41.81 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' OD1' ' OE1' ' A' ' 14' ' ' GLN . 79.5 m-20 -71.93 -25.61 61.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.16 -47.67 27.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 21.9 mt -77.56 -20.43 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 29' ' ' GLN . 3.5 tt0 66.63 72.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 159.12 119.64 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -74.63 82.24 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.3 m-85 -129.93 45.05 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.901 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -159.0 153.0 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -129.6 -179.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.628 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.0 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -35.92 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 5.9 mt-10 -59.4 -49.67 76.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 84' ' ' VAL . 9.0 mt -57.54 -42.19 82.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 14.7 t -60.82 -45.56 93.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -33.17 71.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.75 -48.51 57.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.915 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -57.01 -47.98 79.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.1 m170 -60.68 -48.16 83.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 16.1 mt-30 -65.06 -34.27 78.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.648 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.06 -48.42 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.03 -39.77 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 51' ' ' MET . 13.1 mt-10 -70.62 -47.75 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -73.49 -48.83 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' ' CZ ' ' A' ' 66' ' ' PHE . 20.0 tt0 -59.43 -35.88 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 14.6 ttt180 -71.19 -46.78 60.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 15.9 mtm -71.47 -51.47 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 ptm -72.9 -41.2 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.86 -48.82 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -78.11 -55.67 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -42.06 -22.51 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 97.19 58.85 1.0 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.916 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.5 p -50.7 -21.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.5 t 50.87 15.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.6 t 79.93 -43.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.43 -47.09 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.9 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -62.32 -33.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.916 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.37 -53.33 30.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -67.05 -27.47 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -50.03 44.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.65 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -78.91 -44.19 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 63' ' ' TYR . 10.0 mt -35.46 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 26.1 mm-40 -49.01 -22.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.551 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.2 mt-30 -75.33 161.47 76.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -138.32 -131.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 82.28 33.84 24.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 76.8 m-20 64.37 -74.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -165.22 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.658 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 38.9 p-10 -109.59 157.91 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -136.34 8.58 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.2 -36.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.658 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -67.44 159.42 29.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 63.8 m-85 -120.28 160.65 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 1.01 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.7 p -66.47 139.79 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.132 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -58.56 -26.59 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.623 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 1.1 mp0 -60.98 -27.8 68.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 81' ' ' SER . 8.4 m -61.39 -36.39 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.874 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -67.16 -42.67 88.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.0 t -58.13 -44.85 88.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.697 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.0 OUTLIER -63.5 -41.48 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.89 -37.13 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.29 -49.34 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -56.51 -44.64 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 87' ' ' ASN . 16.2 m -74.82 -20.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.643 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -81.35 -21.06 39.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.7 -45.0 1.15 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.869 HD12 HG12 ' A' ' 170' ' ' VAL . 1.6 pt? -90.47 166.99 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.472 ' HG2' ' HG3' ' A' ' 171' ' ' LYS . 18.5 pm0 -122.34 155.63 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.4 126.32 45.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.9 pp -136.65 159.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.884 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.64 135.19 55.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' O ' ' C ' ' A' ' 100' ' ' ASN . 13.9 t80 -87.32 -45.19 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.72 ' ND2' HD11 ' A' ' 98' ' ' LEU . 10.3 m-20 -27.88 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 2.0 t -23.38 107.07 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.49 20.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 12.9 mt-10 -68.93 -47.01 66.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.676 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.18 -46.82 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.44 -46.47 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -66.54 -38.46 87.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.744 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.34 -24.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt-85 131.38 60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.676 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.7 117.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -107.51 153.94 41.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.815 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.96 -40.58 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.621 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -80.7 -19.12 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 7.4 m-20 -63.36 -12.82 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.3 tp10 -96.35 175.25 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.663 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.2 OUTLIER -115.11 -22.13 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.76 114.38 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -118.02 141.75 48.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -117.92 135.8 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 167' ' ' ILE . 0.8 OUTLIER -126.91 147.26 50.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -131.46 126.53 35.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.89 108.1 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.98 -89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.5 tt0 -108.08 112.75 25.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.0 t-160 97.0 141.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 39.9 p-90 -128.96 164.88 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.685 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -128.85 152.82 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.626 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -107.88 126.72 53.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.588 HG22 ' ND2' ' A' ' 137' ' ' ASN . 8.9 t -107.78 121.56 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.34 151.53 35.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -80.18 123.62 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.674 HD22 ' CE2' ' A' ' 136' ' ' PHE . 1.3 tt -115.75 122.11 44.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.76 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 51.71 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 15.04 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -135.31 137.6 42.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.621 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 5.7 m95 -73.0 124.8 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.674 ' CE2' HD22 ' A' ' 131' ' ' LEU . 3.7 m-85 -115.41 138.48 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.588 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER -94.07 144.09 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.542 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -140.94 127.54 20.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 126' ' ' PHE . 10.0 t-20 175.68 -67.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.1 p 165.06 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.52 -19.31 64.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.01 -2.97 55.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.19 24.23 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.95 -176.18 25.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.44 4.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -46.78 158.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -102.29 124.01 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 153' ' ' LEU . 41.7 mt -114.39 112.78 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.28 149.71 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.537 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -55.02 -33.56 62.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.1 t -83.92 -17.48 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.467 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -85.16 -44.83 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.654 ' O ' HD22 ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.27 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.32 -42.42 88.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.04 -40.19 94.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.87 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -61.75 -52.08 65.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.991 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.66 -32.43 70.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 162' ' ' GLN . . . -69.89 -34.52 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -68.91 -50.53 48.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 1.121 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -67.86 -32.14 72.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 1.026 ' N ' HD13 ' A' ' 160' ' ' LEU . 1.9 mt-30 -63.62 -46.57 85.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 158' ' ' ALA . 1.7 mp0 -71.43 -30.28 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 2.1 mm-40 -70.0 -39.48 75.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.633 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.73 -96.22 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.06 130.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.703 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.1 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 1.121 HD11 HD11 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -112.19 139.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -124.42 119.52 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -86.07 122.41 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 94' ' ' LEU . 3.2 t -90.74 111.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 95' ' ' GLU . 4.5 ptpt -117.8 144.92 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 128.58 -150.08 18.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.59 ' O ' HD22 ' A' ' 94' ' ' LEU . 13.0 t0 -97.15 119.04 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.743 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -111.86 127.29 27.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.743 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.97 119.97 5.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -45.31 165.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 3.9 t -127.02 169.89 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.474 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.1 mt-10 -52.91 -42.48 65.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.412 ' HA ' HD23 ' A' ' 183' ' ' LEU . 12.9 t70 -58.28 -34.71 70.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.29 -37.99 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.85 -30.34 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.76 HD22 ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.95 -46.41 82.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.16 -146.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.07 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 187' ' ' ARG . 2.9 mp -87.77 -102.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.501 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.4 OUTLIER 50.12 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 31.7 m -41.24 136.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -159.26 -58.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.77 -60.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.42 119.09 3.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER -76.19 -48.93 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 9' ' ' ILE . 31.6 mtp -52.93 -18.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.7 -34.31 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.591 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.98 58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.9 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.8 mt -96.13 122.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.9 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 156.56 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.726 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 3.5 t-80 -112.92 131.78 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.687 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 0.6 OUTLIER -38.05 -98.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.726 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 39.34 -161.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.717 ' NE2' ' CD ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -108.76 134.13 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -99.83 57.56 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.82 -29.4 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.19 56.85 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.3 pp -123.74 -59.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 p -116.33 174.09 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -56.42 -24.93 48.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.929 ' OE1' HD23 ' A' ' 24' ' ' LEU . 31.0 tp60 -46.84 -26.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -62.78 -49.1 76.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.536 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' LEU . 1.3 m -70.72 -31.96 68.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD22 HG13 ' A' ' 85' ' ' ILE . 48.5 tp -65.16 -46.14 82.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -63.52 -43.66 96.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.42 -24.91 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 116' ' ' SER . 6.4 tp -74.39 -47.48 33.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.682 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -69.1 -32.69 72.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 80.45 18.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.788 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -149.49 121.17 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.717 ' CD ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -76.66 92.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.788 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -144.12 43.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.07 154.79 26.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -130.12 -178.9 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -48.25 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.76 -36.67 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 2.5 mt-10 -62.75 -43.96 97.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.38 -39.15 75.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.611 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -66.02 -45.66 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.7 p -68.27 -31.74 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.06 -49.29 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.4 -48.12 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 39' ' ' SER . 8.9 m170 -63.09 -48.02 80.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 17.8 mt-30 -61.84 -34.59 76.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -62.85 -48.0 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.77 -41.83 91.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.47 -43.61 59.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.2 OUTLIER -70.02 -53.5 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.4 mp0 -59.77 -39.14 83.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 23.8 ttt180 -61.87 -49.94 74.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.7 ptm -73.73 -43.91 57.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -56.61 -51.72 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 28.6 mtp -72.92 -50.99 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -55.57 -48.8 74.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' C ' ' N ' ' A' ' 57' ' ' GLY . 2.5 mt-10 -78.82 -56.51 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.12 -19.25 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 96.5 56.62 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.005 HG23 ' HB3' ' A' ' 62' ' ' ASP . 7.7 p -49.48 -22.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 0.714 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.3 t 51.54 13.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.371 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 58' ' ' VAL . 0.7 OUTLIER 80.76 -44.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -47.44 70.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 1.005 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.902 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -66.57 -53.32 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -27.34 68.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -49.77 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.48 -43.08 27.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mt -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.8 mm100 -48.69 -23.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-30 -72.15 160.75 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 83' ' ' GLN . 18.3 Cg_endo -74.99 131.9 14.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -97.79 -154.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 96.64 6.54 58.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.84 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.8 ptm 175.69 -172.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -93.72 -176.1 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -81.4 -59.32 2.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 78.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.74 -36.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -145.84 148.4 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.4 m-85 -119.65 157.95 27.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.975 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.3 t -67.45 150.57 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.27 -26.95 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.364 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.9 mt-30 -61.87 -26.75 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 81' ' ' SER . 4.7 m -60.62 -37.48 75.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.93 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.81 -36.48 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 30.6 t -64.52 -45.22 88.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.653 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -62.2 -39.52 93.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.81 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.33 -35.53 68.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.999 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -66.67 -50.05 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.5 ptmt -57.17 -46.76 82.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.4 m -72.52 -19.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.682 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.1 m95 -82.79 -21.13 34.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.82 -45.3 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.2 171.02 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.2 pt-20 -128.61 154.72 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 HG22 ' A' ' 170' ' ' VAL . 20.2 tp -125.14 130.84 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 169' ' ' VAL . 2.6 pp -134.18 159.47 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.692 HD11 ' OD1' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.35 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.948 ' HB2' HG13 ' A' ' 169' ' ' VAL . 18.4 t80 -89.04 -47.55 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.692 ' OD1' HD11 ' A' ' 98' ' ' LEU . 26.2 m120 -24.94 -49.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -21.6 104.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.03 20.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.16 -46.86 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.736 ' HB3' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.43 -47.54 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.685 ' HA ' HG22 ' A' ' 109' ' ' ILE . 1.3 mt-30 -55.16 -46.49 75.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -70.1 -30.94 68.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -67.99 -26.28 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 8.1 ptt-85 133.37 55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -127.54 121.09 56.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.19 154.72 40.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.96 -34.18 4.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.545 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.78 -29.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.7 m-20 -50.04 -23.69 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 4.6 mm-40 -94.21 134.15 36.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.1 OUTLIER -86.2 -5.74 59.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -147.14 103.9 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.953 ' CE1' HG12 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -114.44 158.27 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -128.73 139.41 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.43 143.87 51.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -132.24 124.98 30.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.93 108.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 37.76 -90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.6 tt0 -106.21 112.18 25.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.623 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.8 t-160 98.28 139.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.813 ' CH2' HD13 ' A' ' 85' ' ' ILE . 44.5 p-90 -129.2 164.59 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.743 ' CD1' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.24 155.21 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -108.22 123.53 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 117' ' ' PHE . 16.9 t -105.35 121.93 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.443 ' HE ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.25 160.57 26.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 4.9 ttpt -91.64 127.87 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.728 HD13 HG21 ' A' ' 9' ' ' ILE . 31.3 mt -119.17 122.21 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.38 -87.15 0.25 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -149.32 22.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 5.7 m95 -84.94 143.39 29.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 107.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.673 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 13.2 m-85 -143.77 136.41 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.6 p-10 -93.48 147.33 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -151.09 145.8 25.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 140' ' ' SER . 5.8 t30 175.51 -51.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.3 m 153.38 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -76.99 -30.03 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.826 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -84.1 -8.33 59.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.66 22.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.668 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.69 174.44 27.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -74.96 84.39 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.18 158.1 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -102.17 124.49 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.737 HD11 ' OD1' ' A' ' 137' ' ' ASN . 42.5 mt -119.81 114.97 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 145.12 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 112' ' ' ILE . 4.8 m-20 -54.69 -32.49 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -83.93 -19.61 34.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -87.26 -43.37 12.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.8 OUTLIER -54.04 -47.9 71.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.493 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.66 -44.22 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.07 -38.15 90.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.875 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.58 -51.92 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -58.26 -34.61 70.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.64 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.464 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.11 -48.34 82.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.943 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -68.11 -32.68 73.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.437 ' HB3' HE21 ' A' ' 161' ' ' GLN . 0.3 OUTLIER -66.42 -46.52 76.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.78 -28.88 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.22 -33.25 65.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.712 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -167.88 -98.26 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.712 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.29 112.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.045 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -174.08 70.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.943 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.7 mt -133.72 137.36 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -124.51 143.12 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.953 HG12 ' CE1' ' A' ' 117' ' ' PHE . 28.1 m -109.98 132.34 58.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.866 HG13 HD12 ' A' ' 89' ' ' LEU . 17.3 t -93.11 110.09 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.0 ptpt -113.06 144.92 41.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 121.77 -162.47 15.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.9 t0 -86.58 118.62 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.866 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.7 tm? -105.43 129.89 23.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.866 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.02 117.08 4.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.7 OUTLIER -60.88 152.0 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 7.7 p -116.71 -170.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.21 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.69 -33.8 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 183' ' ' LEU . 0.0 OUTLIER -58.15 -35.86 72.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.7 OUTLIER -79.04 -37.68 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.98 -27.26 69.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.52 -29.32 61.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.54 ' N ' HD23 ' A' ' 183' ' ' LEU . 6.4 mt-30 -171.58 -63.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -33.23 151.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 184' ' ' GLN . 3.7 mp -140.21 -78.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLN . 0.4 OUTLIER -51.27 -51.98 49.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 189' ' ' GLN . 10.8 t 64.53 -77.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' GLN . . . . . 0.467 ' N ' HG12 ' A' ' 188' ' ' VAL . 0.3 OUTLIER -135.26 -63.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.548 ' H3 ' ' C ' ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.679 ' HD2' HD13 ' A' ' 186' ' ' ILE . 18.1 Cg_endo -75.04 -176.87 3.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -99.25 -45.66 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.6 116.17 2.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -56.86 -33.02 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.6 mtt -51.89 -15.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' SER . 44.0 mm-40 -66.98 -46.88 73.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -125.76 56.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.834 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -105.59 123.03 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 160.78 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -112.95 134.73 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.556 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 3.7 pt-20 -62.58 -140.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER 40.39 -136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.504 ' O ' ' NE2' ' A' ' 11' ' ' HIS . 1.6 pm0 -89.87 159.41 16.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.08 54.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.89 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.46 59.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.941 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.87 -55.54 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.537 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 4.0 p -115.79 173.7 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.14 -24.88 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.897 HE21 HD23 ' A' ' 24' ' ' LEU . 1.3 tm0? -47.52 -31.53 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -56.83 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . 9.3 m -63.92 -33.9 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD23 HE21 ' A' ' 21' ' ' GLN . 17.7 tp -65.04 -46.12 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.582 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 83.2 m-20 -59.39 -42.08 90.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 2.0 m120 -74.75 -32.02 61.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 129' ' ' ARG . 6.3 tp -66.96 -47.57 71.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.818 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.36 -12.03 60.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 88.32 -14.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -152.71 146.23 14.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -61.02 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 68.76 35.07 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.841 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.63 154.85 25.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -128.58 179.36 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.08 -44.07 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.85 -42.03 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 40' ' ' SER . 19.0 mt-10 -62.92 -40.33 97.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 21' ' ' GLN . 3.2 tp -61.83 -44.51 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 t -62.49 -38.73 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -74.2 -31.05 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.4 tt -71.86 -42.66 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.05 -47.37 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.5 m170 -61.27 -47.95 83.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLU . 28.7 mm-40 -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.014 HD12 ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.77 -46.47 85.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 6.0 t0 -60.2 -44.55 95.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.3 mt-10 -73.35 -46.71 47.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.3 tt0 -67.33 -53.4 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 1.014 ' HG3' HD12 ' A' ' 45' ' ' LEU . 5.6 mt-10 -59.7 -38.95 83.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.7 ttt180 -60.85 -49.3 78.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.1 ptm -73.35 -43.34 60.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 51' ' ' MET . 1.3 ttt180 -61.49 -47.89 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' VAL . 5.4 ptm -72.56 -42.74 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.2 -48.8 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -77.48 -54.06 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.82 -20.26 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 99.16 60.1 0.88 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.877 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -45.55 -25.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.1 t 51.88 16.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 58' ' ' VAL . 8.3 t 75.4 -50.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -53.34 -47.16 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 58' ' ' VAL . 2.1 m-20 -60.04 -33.33 71.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.877 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.3 -53.6 34.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.633 ' HD2' HD12 ' A' ' 67' ' ' LEU . 9.1 mmm180 -67.12 -27.12 67.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -50.44 51.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.95 -43.05 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 64' ' ' ARG . 13.1 mt -37.89 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' PHE . 38.8 mm-40 -50.04 -20.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.9 mm-40 -74.51 161.06 79.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -97.19 -170.81 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.07 -12.3 31.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.1 m-20 74.96 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.523 ' HE3' ' CD2' ' A' ' 80' ' ' PHE . 9.3 ptm 168.79 -172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.9 t0 -93.26 -175.96 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.49 -55.59 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.03 72.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.92 -37.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -143.35 145.23 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.5 m-85 -119.41 159.08 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -67.46 143.16 56.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.138 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -56.14 -27.7 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.7 mt-30 -62.95 -24.67 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.808 ' CG2' HG22 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -60.83 -41.31 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.83 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.23 -43.22 98.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.0 -45.11 96.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.841 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.94 -32.73 69.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.31 -51.56 56.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.734 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.07 -46.34 82.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.5 m -70.38 -20.95 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.818 ' CE2' HD23 ' A' ' 28' ' ' LEU . 1.7 m95 -83.07 -21.29 33.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.46 -53.04 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -89.5 166.15 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.33 161.17 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.751 ' HB2' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.22 125.61 44.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.47 159.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.898 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.95 138.15 58.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.9 t80 -90.39 -44.88 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.813 HD21 ' N ' ' A' ' 166' ' ' SER . 83.0 m-20 -30.19 -43.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -24.9 109.05 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.43 20.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.6 mt-10 -69.4 -47.07 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.678 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.17 -47.04 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.5 -46.47 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.38 -38.41 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.61 -24.76 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.5 ptt180 131.09 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.678 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 118.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER -107.32 154.32 40.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.97 -40.9 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 154' ' ' ALA . 0.0 OUTLIER -77.4 -33.58 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 110' ' ' ASP . 3.1 m-20 -44.65 -26.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -111.2 1.29 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.02 100.27 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.3 OUTLIER -118.63 154.93 31.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mt -126.36 140.2 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 39.3 t -124.11 144.48 49.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 108.339 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 3.3 t-20 -129.8 122.95 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.619 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -109.55 108.99 19.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.34 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -108.88 -73.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 143.51 52.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.893 ' CH2' HD13 ' A' ' 85' ' ' ILE . 51.0 p-90 -127.91 164.73 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -128.95 162.48 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.047 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.42 126.94 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.439 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 117' ' ' PHE . 42.5 t -106.11 124.23 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.787 ' HG3' HD12 ' A' ' 27' ' ' LEU . 1.2 tmm_? -126.72 148.31 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.519 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.7 tttt -72.45 122.3 21.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.68 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 8.3 mt -119.66 122.14 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.81 -104.38 1.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.69 12.17 6.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.569 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 7.2 mm-40 -137.9 161.05 37.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 115' ' ' ARG . 3.2 m95 -83.67 142.27 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.68 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 9.4 m-85 -139.97 143.36 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.867 ' ND2' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -90.1 147.27 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -138.54 131.5 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.611 ' HB3' HD23 ' A' ' 141' ' ' LEU . 22.9 t-20 178.8 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.72 -28.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -68.39 -23.68 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.83 -0.99 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.92 24.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.627 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 145.63 174.55 17.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.436 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.03 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 142.07 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -83.49 125.2 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.867 HD11 ' ND2' ' A' ' 137' ' ' ASN . 48.7 mt -115.38 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.35 149.78 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.426 ' OD1' HG13 ' A' ' 112' ' ' ILE . 4.2 t70 -56.42 -31.82 64.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.39 -11.06 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -99.84 -45.77 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.9 OUTLIER -54.29 -48.11 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.62 -43.66 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.7 -37.24 86.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.38 -51.91 57.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.693 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.17 -34.21 71.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.21 87.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.14 -48.69 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.07 -37.86 86.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.351 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.449 HE21 ' HB3' ' A' ' 161' ' ' GLN . 0.3 OUTLIER -61.98 -46.35 89.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -70.74 -27.77 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -30.02 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.707 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.61 -95.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.707 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.94 119.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.98 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.813 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -178.09 68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.913 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.3 mt -134.9 136.73 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.138 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.45 134.6 53.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.867 HG23 ' CE1' ' A' ' 117' ' ' PHE . 1.8 p -102.09 123.92 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.778 HG12 HD22 ' A' ' 94' ' ' LEU . 4.5 t -86.74 110.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -115.06 143.29 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 129.3 -162.57 22.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.623 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 2.7 m-20 -82.58 119.25 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -111.09 134.43 21.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.779 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.5 Cg_endo -74.93 -161.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -143.26 151.34 40.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.82 -166.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.22 -40.52 64.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 131' ' ' LEU . . . -55.69 -33.66 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.5 t70 -58.22 -48.67 79.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.42 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.546 ' O ' HD11 ' A' ' 186' ' ' ILE . 1.6 tp -61.99 -40.1 94.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.5 OUTLIER -66.21 -49.59 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.556 ' N ' HD13 ' A' ' 183' ' ' LEU . 0.6 OUTLIER -64.04 -65.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.405 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 3.4 mtp -72.32 107.88 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.679 HD13 ' HD2' ' A' ' 2' ' ' PRO . 33.1 mm -149.48 160.65 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 186' ' ' ILE . 0.0 OUTLIER -45.55 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 186' ' ' ILE . 75.0 t -139.16 -64.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -150.74 -55.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.777 ' CD ' HD11 ' A' ' 186' ' ' ILE . 18.5 Cg_endo -75.02 -167.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -99.62 -53.62 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.1 109.06 1.03 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 86.4 p -76.23 -37.54 57.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.753 ' HG2' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -54.02 -12.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 5' ' ' SER . 8.9 mt-10 -60.39 -40.56 91.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' CD2' ' A' ' 182' ' ' LEU . 7.9 t -129.18 42.23 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.753 HD12 ' HG2' ' A' ' 6' ' ' MET . 1.9 mt -85.95 123.67 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 153.05 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 3.1 t60 -90.52 135.77 33.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' CG ' ' H ' ' A' ' 13' ' ' LYS . 1.2 pm0 -59.26 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.606 ' C ' ' HE2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -95.93 85.71 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.68 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -101.48 142.16 33.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.68 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.3 tt0 -153.28 71.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.82 99.75 0.14 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -129.81 88.44 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.7 pt? -148.79 -50.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.3 m -114.86 175.12 5.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.759 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.06 -22.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.969 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -45.39 -32.32 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 8.9 p-80 -60.93 -52.83 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 2.9 t -60.63 -44.38 96.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.899 HD22 HG13 ' A' ' 85' ' ' ILE . 61.6 tp -56.45 -42.82 78.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.662 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 24.8 m120 -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.77 -30.26 66.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.19 -45.14 58.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -78.36 -31.04 48.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 177' ' ' CYS . 0.5 OUTLIER 66.08 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.808 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 112.06 0.29 26.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 1.7 pt-20 37.55 -102.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.808 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 26.4 m-85 88.51 -29.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 38' ' ' LEU . 4.1 p90 -110.82 138.21 47.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.645 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -88.58 -174.29 0.46 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.671 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.02 -34.09 4.06 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.08 -42.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 10.0 mt-10 -58.71 -36.53 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.969 HD22 ' HB2' ' A' ' 21' ' ' GLN . 1.9 tp -63.63 -45.09 91.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.31 -46.31 86.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -30.09 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -71.02 -50.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.931 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.47 -48.2 74.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 11.5 m170 -63.89 -44.57 92.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.5 mm-40 -65.79 -33.97 77.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -63.27 -48.04 79.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.562 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -74.14 -47.11 38.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.27 -51.38 38.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.695 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.4 tp10 -59.46 -43.17 93.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 8.9 ttm180 -59.56 -49.14 78.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.4 ptm -73.02 -44.68 60.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.4 tpp180 -59.97 -48.62 80.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.0 ptm -72.31 -39.6 68.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.54 -48.18 67.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -79.87 -33.69 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.05 -15.58 60.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 93.29 55.33 1.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.99 HG23 ' HB3' ' A' ' 62' ' ' ASP . 5.9 p -51.74 -17.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 3.0 t 49.18 16.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 m 76.32 -43.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 59' ' ' THR . 2.0 mm-40 -54.65 -46.89 74.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.99 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.84 -33.36 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.884 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -63.94 -53.48 49.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.5 mmm180 -66.84 -26.98 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -50.21 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.88 -39.76 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 64' ' ' ARG . 12.4 mt -42.0 -26.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' C ' ' A' ' 66' ' ' PHE . 32.6 mm-40 -54.59 -20.52 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.599 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.8 mm-40 -65.63 160.45 60.52 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 71' ' ' SER . 18.2 Cg_endo -74.97 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.586 ' C ' ' O ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -23.91 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.51 -22.01 32.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 74' ' ' MET . 11.1 m-80 -88.06 16.12 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.633 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 13.1 ptm 49.59 167.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 8.7 t0 -110.67 -175.69 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -125.84 -37.83 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -44.66 -55.76 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.549 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 167.85 56.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.95 124.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.712 ' CD2' HD23 ' A' ' 38' ' ' LEU . 80.0 m-85 -95.05 156.42 16.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.862 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -67.86 140.73 56.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.053 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -56.01 -27.71 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 11.1 mt-30 -62.25 -24.53 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.931 HG12 ' HB2' ' A' ' 42' ' ' ALA . 4.6 m -60.75 -40.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -62.43 -40.5 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 3.4 t -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.849 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -39.88 91.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.05 -35.2 66.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -67.32 -50.47 59.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 87' ' ' ASN . 8.1 m -72.32 -20.87 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.745 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.1 m95 -82.54 -20.76 35.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.36 -40.87 1.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.92 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.8 OUTLIER -90.5 168.69 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 171' ' ' LYS . 5.0 pt-20 -127.98 154.57 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.63 HD11 ' CB ' ' A' ' 168' ' ' PHE . 15.0 tp -124.72 140.55 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.455 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -147.47 159.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.661 HD21 ' ND2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.51 142.86 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 9.9 t80 -93.62 -37.46 11.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.876 HD21 ' N ' ' A' ' 166' ' ' SER . 66.2 m-20 -36.81 -38.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -32.02 111.9 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.92 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.3 mt-10 -74.99 -46.8 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.628 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -66.02 -45.28 82.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.35 -46.88 76.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -67.42 -34.95 78.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -68.07 -24.83 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.4 ptm180 131.83 60.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.628 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.91 118.95 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.45 153.86 40.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.764 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -28.56 9.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.68 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.27 -18.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.6 t-20 -11.27 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.2 tt0 -38.57 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER 178.69 -83.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 129' ' ' ARG . 17.0 m 179.41 133.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.887 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -124.75 158.62 32.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 126' ' ' PHE . 4.5 mt -130.13 142.88 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 33.9 m -127.57 144.53 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.2 t-20 -129.68 124.69 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -112.2 109.1 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 55.24 -85.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -109.5 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.74 141.1 57.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.614 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.804 ' HZ3' HG23 ' A' ' 127' ' ' THR . 59.2 p-90 -129.1 165.29 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.719 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.24 159.39 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.804 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -116.56 124.47 49.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 117' ' ' PHE . 3.6 t -107.46 123.94 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.457 ' HA ' ' OG ' ' A' ' 116' ' ' SER . 1.9 tmm_? -122.13 144.15 49.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -86.45 116.12 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.968 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.4 OUTLIER -101.22 120.18 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.469 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 65.83 -85.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.71 28.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 9.9 mm-40 -140.16 158.38 44.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.631 ' CZ3' ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -101.58 121.41 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.012 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 2.0 m-85 -122.01 134.64 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' ND2' HG22 ' A' ' 128' ' ' VAL . 1.0 OUTLIER -85.93 143.09 28.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -146.28 137.34 24.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.595 ' HB3' HD23 ' A' ' 141' ' ' LEU . 7.5 t-20 175.16 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.7 m 151.44 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -78.31 -12.99 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.713 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -104.85 -7.58 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.62 23.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.617 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 165.61 173.38 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.73 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 133.15 55.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.602 HD13 ' CE2' ' A' ' 136' ' ' PHE . 25.1 tp -89.82 131.2 35.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 10.0 mt -105.05 151.18 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.3 OUTLIER -89.89 151.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.611 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -57.82 -39.83 78.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 5.9 t -83.61 -8.59 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -98.03 -48.8 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.84 -48.26 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.02 -43.28 88.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.2 -35.27 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.57 -50.55 66.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.635 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.2 mt -61.11 -34.67 75.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.01 93.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.573 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.71 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.917 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.528 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.2 mt-30 -64.71 -46.46 82.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -71.01 -26.74 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.48 -31.2 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.674 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.01 -100.24 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.674 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 159.71 111.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.876 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -173.83 73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.917 ' CG1' HD11 ' A' ' 160' ' ' LEU . 3.8 mt -134.93 130.99 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.053 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -118.61 136.97 53.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.887 HG23 ' CE1' ' A' ' 117' ' ' PHE . 2.1 p -109.48 132.12 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.73 HG13 HD12 ' A' ' 89' ' ' LEU . 3.9 t -86.92 117.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -122.04 137.74 54.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.499 ' N ' HH12 ' A' ' 115' ' ' ARG . . . 132.39 -150.03 19.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.92 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.4 m-20 -95.36 126.16 40.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -101.36 129.87 26.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.1 Cg_endo -75.0 143.41 29.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.26 -177.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 27.5 p -176.73 169.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 0.5 OUTLIER -53.29 -41.46 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.39 -34.59 70.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.608 ' O ' HD23 ' A' ' 183' ' ' LEU . 6.3 t70 -58.16 -44.06 87.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 185' ' ' MET . 4.4 pt20 -78.3 -26.23 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 5' ' ' SER . 2.4 tp -68.14 -30.56 69.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 180' ' ' ASP . 1.1 pp -56.99 -43.09 81.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.567 ' HB2' HD12 ' A' ' 183' ' ' LEU . 8.8 mt-30 -164.39 -70.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.482 ' O ' ' O ' ' A' ' 181' ' ' GLN . 9.4 mtt -34.39 110.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.777 HD11 ' CD ' ' A' ' 2' ' ' PRO . 42.9 mm -95.58 151.18 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 144.57 50.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 189' ' ' GLN . 13.5 p -58.32 -53.48 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' GLN . . . . . 0.537 ' N ' HG13 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -174.52 87.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.561 1.822 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.11 -63.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.71 128.28 6.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.76 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -76.24 -48.49 20.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.8 ttm -58.33 -11.64 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.808 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -130.7 53.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 110.036 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.6 mt -86.84 123.08 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.0 p90 163.62 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.611 ' CD2' ' HG2' ' A' ' 12' ' ' GLU . 10.4 t-160 -112.92 135.25 53.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.611 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -41.37 -92.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -95.75 124.8 39.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.532 ' OE1' ' HB3' ' A' ' 25' ' ' ASN . 14.5 tp60 -135.43 136.95 41.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.1 mt-10 -143.31 119.4 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.566 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 142.24 -121.23 1.75 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.9 OUTLIER 90.35 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.0 pp -173.68 -55.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.6 p -115.74 175.16 5.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.28 -23.69 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.665 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.79 -38.48 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -60.24 -43.89 95.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.8 m -64.48 -33.17 75.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD11 HG13 ' A' ' 85' ' ' ILE . 5.1 mt -62.24 -46.49 88.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.532 ' HB3' ' OE1' ' A' ' 14' ' ' GLN . 26.6 m-20 -61.98 -42.34 99.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 129' ' ' ARG . 1.2 t30 -74.96 -35.03 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 23' ' ' CYS . 2.2 tp -75.13 -48.32 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 92' ' ' TRP . 97.7 mt -73.51 -20.13 60.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 77.62 17.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -151.04 124.72 1.75 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 8.4 pt-20 -84.07 55.49 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -108.16 52.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -156.92 152.7 27.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.9 OUTLIER -132.21 -179.3 1.02 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.614 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.25 -41.39 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.03 -40.77 98.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.2 tp -64.61 -42.49 95.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -58.88 -45.77 89.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -29.99 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -69.88 -44.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.001 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.0 m170 -64.11 -44.94 90.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 mt-30 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -59.62 -44.47 93.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -60.48 -43.91 96.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.2 mt-10 -73.22 -47.48 43.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -68.88 -51.1 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.7 tm-20 -59.74 -39.09 83.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 30.3 ttt180 -62.93 -48.74 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.0 ptm -72.56 -45.88 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -57.73 -48.77 78.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.954 ' HE2' HG21 ' A' ' 58' ' ' VAL . 7.7 ptm -72.63 -39.84 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.94 -48.29 71.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.6 mm-40 -80.65 -55.15 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.25 -21.89 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 93.78 56.87 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.954 HG21 ' HE2' ' A' ' 53' ' ' MET . 7.1 p -54.57 -17.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.3 t 51.34 15.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.567 ' H ' HG13 ' A' ' 58' ' ' VAL . 1.1 t 75.37 -43.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' THR . 7.9 mt-10 -53.39 -46.45 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.93 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.81 -33.19 75.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.882 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.31 -54.15 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -67.35 -32.03 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -50.57 73.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.699 ' HD1' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.74 -31.78 41.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -41.02 -28.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.8 mm100 -50.1 -20.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.602 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -74.94 159.49 82.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 -149.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 88.15 12.61 65.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.54 -72.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.517 ' HE1' ' CE1' ' A' ' 80' ' ' PHE . 18.2 ptm 172.77 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.6 t0 -85.77 -175.83 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -83.27 -55.42 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.94 80.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.1 -33.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -141.9 145.01 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.686 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 90.7 m-85 -119.16 157.38 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.843 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.7 p -67.24 140.05 57.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.139 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -55.95 -26.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.617 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -61.23 -24.84 66.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.001 HG12 ' HB2' ' A' ' 42' ' ' ALA . 5.6 m -60.96 -35.42 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.924 HG13 HD11 ' A' ' 24' ' ' LEU . 1.4 mp -65.57 -43.98 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 t -59.38 -44.98 92.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.902 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -61.04 -43.01 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.43 -36.05 68.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.98 HD13 HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -68.25 -50.01 56.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.3 -42.23 81.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 87' ' ' ASN . 10.4 m -75.75 -21.22 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.84 -20.57 38.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.975 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.31 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 89' ' ' LEU . 1.2 pt? -90.35 166.19 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.1 pt-20 -127.07 155.33 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 168' ' ' PHE . 21.2 tp -124.76 138.84 54.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -142.84 159.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.13 131.42 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 19.8 t80 -83.12 -45.66 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.788 HD21 ' N ' ' A' ' 166' ' ' SER . 61.8 m-20 -30.67 -42.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 5.5 t -28.31 108.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.05 21.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 4.7 mt-10 -66.11 -47.91 72.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.708 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.7 m-85 -70.09 -47.6 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.72 -46.28 77.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -65.28 -40.65 94.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.04 -25.09 67.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.6 ptt180 130.78 60.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.708 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -127.1 118.18 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.483 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 3.1 m-20 -107.24 152.39 41.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -75.0 -36.29 2.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.63 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.72 -28.94 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.9 m-20 -52.08 -20.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.66 ' HG3' HG22 ' A' ' 169' ' ' VAL . 1.1 mm-40 -92.58 171.54 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -126.33 2.47 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 9.4 t -153.12 96.62 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.125 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.4 OUTLIER -115.51 158.98 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.645 HG21 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -130.01 139.26 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.46 ' SG ' HG21 ' A' ' 128' ' ' VAL . 5.7 m -115.45 147.53 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.54 118.01 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -111.71 135.02 52.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 121' ' ' TYR . 17.1 mtmt 33.64 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tp10 -109.34 -59.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -68.08 146.59 53.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.4 p-90 -128.64 164.17 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 1.005 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 11.0 m-85 -129.39 162.58 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 125.85 54.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 117' ' ' PHE . 17.1 t -105.32 122.45 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.454 ' NH2' ' SG ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -120.62 153.87 36.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 126.59 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.802 HD12 ' CB ' ' A' ' 136' ' ' PHE . 7.9 mt -118.61 121.99 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.39 -98.57 0.59 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -136.88 17.31 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.427 ' OE1' ' OD1' ' A' ' 150' ' ' ASP . 8.3 mm100 -133.62 160.14 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.63 ' NE1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -89.53 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 5.7 m-85 -135.17 142.12 46.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.776 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -84.83 135.22 34.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.69 117.98 24.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 141' ' ' LEU . 1.5 p30 177.58 -172.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.3 t -108.44 32.12 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.959 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 1.005 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 2.0 tp -103.19 -42.46 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.843 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -102.23 -7.49 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.62 23.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.421 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -161.06 146.16 11.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.02 3.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -47.48 108.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -60.0 123.72 17.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.776 HD11 ' OD1' ' A' ' 137' ' ' ASN . 70.3 mt -104.67 124.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.98 147.0 54.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.496 ' O ' HG21 ' A' ' 112' ' ' ILE . 2.6 m-20 -56.35 -32.55 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.68 -14.48 51.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -95.42 -46.56 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.88 -48.35 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.31 -41.14 90.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -64.64 -35.6 81.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.731 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -65.02 -51.64 60.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 160' ' ' LEU . 6.8 mt -60.54 -34.65 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.07 94.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.549 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.69 -48.64 80.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.95 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.92 -35.14 77.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -64.66 -46.42 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -70.94 -27.64 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -73.59 -31.98 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.701 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -173.85 -97.49 0.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.18 119.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.987 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.788 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER -177.36 67.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.95 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -134.73 141.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.139 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -122.38 136.3 54.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 1.125 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -103.7 123.73 57.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 94' ' ' LEU . 3.0 t -87.9 112.93 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.71 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -121.2 135.19 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.92 -154.84 23.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.714 ' O ' HD22 ' A' ' 94' ' ' LEU . 69.6 m-20 -88.06 119.76 28.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -106.08 130.96 22.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.98 152.47 40.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.61 152.49 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.454 ' SG ' ' NH2' ' A' ' 129' ' ' ARG . 23.3 p -133.07 -173.02 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.73 -38.39 64.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.621 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.65 -34.73 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 0.7 OUTLIER -58.16 -36.28 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -80.5 -31.64 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.808 HD11 ' O ' ' A' ' 8' ' ' SER . 92.1 mt -60.27 -41.93 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -57.01 -47.4 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.815 ' HB2' HD12 ' A' ' 183' ' ' LEU . 3.9 mt-30 161.18 135.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 7.6 ttm 177.01 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.791 HD12 ' HD3' ' A' ' 187' ' ' ARG . 1.4 pt -48.98 165.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.791 ' HD3' HD12 ' A' ' 186' ' ' ILE . 0.0 OUTLIER 63.94 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 187' ' ' ARG . 3.2 p 40.53 73.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -172.79 -48.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 182' ' ' LEU . 18.4 Cg_endo -74.94 -164.24 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mt -96.83 -62.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' A' ' 7' ' ' GLU . . . -133.72 107.27 0.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.727 ' O ' HD13 ' A' ' 182' ' ' LEU . 99.5 p -73.22 -42.85 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.774 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.6 ttt -69.79 -1.55 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CG ' ' HA3' ' A' ' 4' ' ' GLY . 45.5 mm-40 -75.87 -30.24 58.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.842 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -131.16 47.7 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -93.89 123.38 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.703 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 167.08 -143.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.919 ' HE1' ' HB2' ' A' ' 13' ' ' LYS . 4.3 t-80 -110.89 135.47 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -52.98 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.919 ' HB2' ' HE1' ' A' ' 11' ' ' HIS . 8.2 mtmm -47.19 -100.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.61 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -113.62 156.76 23.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 2.8 pm0 -121.51 -34.5 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . 37.03 -156.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.81 125.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.679 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 1.4 pp -174.47 -61.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.679 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 30.4 p -116.58 173.87 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.775 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -58.71 -24.98 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' OE1' ' ND2' ' A' ' 25' ' ' ASN . 1.4 tm0? -47.34 -45.41 24.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 51.7 m-70 -53.98 -41.28 67.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -39.36 81.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 HG13 ' A' ' 85' ' ' ILE . 8.6 tp -67.31 -41.18 85.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.604 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 2.0 m-20 -59.32 -46.52 88.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.0 m-20 -69.97 -27.56 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -46.55 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 92' ' ' TRP . 35.8 mt -81.92 -11.23 59.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER 69.62 -56.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.718 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.57 122.85 23.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.8 tt0 -83.26 81.57 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.718 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 -129.73 46.78 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -159.56 154.95 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -132.43 -178.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.641 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.34 -35.59 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 36.7 mt-10 -57.95 -41.91 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 84' ' ' VAL . 7.3 mt -63.01 -35.64 80.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 25.2 p -64.92 -45.71 84.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -33.24 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.85 -51.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.809 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -55.88 -47.22 77.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 39' ' ' SER . 17.2 m170 -59.46 -48.08 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.666 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.35 -34.13 67.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.083 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 -47.96 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -60.65 -44.5 96.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.32 -47.9 31.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -63.1 -45.9 89.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CD ' ' CE2' ' A' ' 66' ' ' PHE . 29.4 tt0 -65.11 -45.74 83.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.05 -48.21 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.569 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 25.9 ptm -72.39 -39.77 67.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.01 -51.39 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.695 ' HE1' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -72.83 -50.49 23.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.81 78.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -71.73 -58.17 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.15 -16.63 1.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 105.75 -33.84 6.21 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' HD1' ' A' ' 63' ' ' TYR . 7.4 p 48.43 14.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER 33.67 23.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.706 ' N ' ' O ' ' A' ' 58' ' ' VAL . 1.4 t 63.47 -53.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 59' ' ' THR . 5.7 mm-40 -53.27 -47.72 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.732 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -56.9 -33.23 66.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.811 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -62.35 -53.18 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.2 -27.01 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -50.78 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.695 ' CD1' ' HE1' ' A' ' 53' ' ' MET . 0.5 OUTLIER -79.6 -42.57 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.8 mt -37.34 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.5 mm100 -50.03 -21.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.3 mt-30 -72.7 162.43 74.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.2 Cg_endo -75.0 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -151.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 85.83 15.2 65.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 74' ' ' MET . 5.3 m-20 65.29 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 25.7 ptm 173.11 174.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 9.6 m-20 -110.65 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -146.17 27.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 t -107.98 8.59 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.16 41.73 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -159.46 137.03 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 111.014 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 62.5 m-85 -118.38 159.16 23.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.959 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.33 144.86 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.149 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -65.91 -26.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.801 ' HB3' HD11 ' A' ' 45' ' ' LEU . 1.5 mt-30 -60.84 -26.07 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 81' ' ' SER . 5.7 m -61.12 -42.08 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.845 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.93 -42.47 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 34.9 t -56.55 -45.42 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.705 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 m120 -65.55 -36.95 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.64 -35.41 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.725 HD13 HD11 ' A' ' 94' ' ' LEU . 1.8 mt -67.52 -50.5 58.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.99 -46.48 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.5 m -71.56 -21.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.97 -20.99 37.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.83 -40.01 1.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.8 168.73 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 171' ' ' LYS . 1.7 pt-20 -123.0 154.3 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.581 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.75 125.95 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.5 pp -137.1 158.65 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.358 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.909 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.94 124.12 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' A' ' 167' ' ' ILE . 1.2 t80 -73.0 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.909 ' HB2' HD23 ' A' ' 98' ' ' LEU . 33.3 m-20 -32.37 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.3 OUTLIER 6.57 105.55 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.942 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.51 21.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.762 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 11.8 tt0 -72.57 -46.4 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.672 ' O ' HD13 ' A' ' 109' ' ' ILE . 4.0 m-85 -69.94 -46.14 65.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 101' ' ' SER . 77.5 mm-40 -53.88 -47.13 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -35.13 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.748 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -63.48 -25.3 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.748 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.0 mtt-85 130.94 55.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.3 mp -126.83 121.93 59.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -106.46 154.71 39.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.04 -43.63 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -73.62 -24.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.559 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -64.05 -13.8 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.49 ' CG ' HG22 ' A' ' 169' ' ' VAL . 6.8 tp10 -87.27 126.43 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.44 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 3.8 tmt_? -66.43 -34.63 78.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.1 OUTLIER -141.14 113.2 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.119 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.76 152.19 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.746 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mt -125.7 144.6 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.59 145.63 50.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.512 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.8 t-20 -129.6 124.87 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.653 ' CE1' ' HE3' ' A' ' 122' ' ' LYS . 11.2 t80 -113.69 115.57 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.653 ' HE3' ' CE1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 52.27 -89.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.6 tt0 -109.08 -61.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' ' OD1' ' A' ' 139' ' ' ASN . 17.5 t-160 -68.07 142.54 55.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.845 ' CH2' HD13 ' A' ' 85' ' ' ILE . 49.1 p-90 -128.32 164.37 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.622 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.4 m-85 -129.11 162.58 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.629 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -117.93 133.2 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.119 HG21 ' CE2' ' A' ' 117' ' ' PHE . 25.1 t -115.75 126.72 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.48 146.95 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 101.46 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.714 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -94.05 122.45 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.504 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.74 -92.74 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.38 20.19 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.523 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 14.1 mm-40 -141.08 160.8 39.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -88.71 133.27 34.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.714 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 2.3 m-85 -129.46 134.28 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.658 ' HB2' HD11 ' A' ' 148' ' ' ILE . 4.1 t-20 -94.0 129.27 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.727 ' HA ' HD21 ' A' ' 142' ' ' LEU . 1.3 mt -139.02 146.47 40.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.656 ' O ' ' CB ' ' A' ' 140' ' ' SER . 15.1 t-20 173.99 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.6 m 145.63 1.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.622 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -89.91 -33.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.754 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -95.04 -6.31 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.19 24.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 174.3 158.03 17.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.2 6.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 133.93 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.553 ' CD2' ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -79.59 123.45 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 137' ' ' ASN . 66.9 mt -104.8 139.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 154.19 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.594 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -56.07 -39.23 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 4.1 t -83.53 -2.7 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -53.87 -48.09 70.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.38 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.95 -36.55 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.794 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.37 -51.78 61.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.86 -34.68 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 162' ' ' GLN . . . -64.87 -42.97 94.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.525 ' OE1' HD21 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -60.56 -48.61 81.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -67.73 -34.29 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.2 mt-30 -66.31 -46.39 77.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 158' ' ' ALA . 50.0 mm-40 -70.78 -27.84 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.23 -33.5 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.702 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.3 -96.62 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.702 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.71 122.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.533 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 175.73 72.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.947 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 15.4 mt -134.66 127.05 48.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.149 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.1 m-85 -114.14 128.0 56.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -98.67 126.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -87.53 111.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.531 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -120.93 137.6 54.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 137.95 -153.77 22.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.859 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.3 m-20 -90.71 120.14 31.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.548 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.5 tm? -103.27 127.65 29.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.548 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 148.81 35.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.75 159.86 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 20.1 p -144.57 169.05 18.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.2 mm-40 -54.17 -42.63 69.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.41 -36.92 69.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 183' ' ' LEU . 33.0 t70 -58.03 -38.7 76.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 184' ' ' GLN . 1.8 mt-30 -77.36 -29.73 53.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 8' ' ' SER . 95.5 mt -64.98 -35.92 82.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.894 HD12 ' HG3' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -56.54 -46.58 80.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.894 ' HG3' HD12 ' A' ' 183' ' ' LEU . 37.7 mt-30 -164.66 -114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 1.4 ttt 56.95 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 184' ' ' GLN . 0.1 OUTLIER 42.06 -161.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.74 154.03 4.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 188' ' ' VAL . 17.9 m -76.96 64.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -159.8 -55.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.654 ' HA2' HD12 ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.92 -59.46 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . -154.84 124.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -61.08 -42.75 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.734 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.8 -17.68 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 48.4 mt-10 -53.13 -31.73 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.599 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.9 OUTLIER -151.83 54.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -91.14 124.09 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 154.05 -168.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.605 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -112.78 135.63 53.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.632 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -62.96 -137.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 25.5 mmtt 49.68 -133.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' OE1' ' CG ' ' A' ' 31' ' ' GLU . 2.4 pm0 -89.68 159.49 17.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -110.65 -74.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 37.45 -153.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.633 ' N ' ' CE1' ' A' ' 22' ' ' HIS . 1.4 p 157.66 101.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp -125.82 -64.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.924 ' N ' HD12 ' A' ' 18' ' ' LEU . 78.2 m -115.99 173.74 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.725 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.04 -24.33 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.66 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.73 -45.29 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' CE1' ' N ' ' A' ' 17' ' ' SER . 14.7 m-70 -54.1 -48.17 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 m -64.38 -32.59 74.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 85' ' ' ILE . 23.3 tp -66.76 -44.41 81.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 15.2 m-20 -60.53 -42.27 96.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 3.6 m-80 -74.9 -31.09 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -73.53 -42.92 61.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.854 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -72.02 -3.07 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 82.63 -6.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -166.29 160.08 33.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.541 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -75.13 -104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 69.07 12.6 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -136.96 145.24 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.499 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.27 173.07 3.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.602 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.81 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.43 -35.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -61.4 -46.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.5 mt -57.0 -45.38 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.483 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -59.48 -45.69 90.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.12 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.61 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -70.04 -47.06 70.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.983 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.31 -47.51 78.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 12.2 m170 -68.61 -42.88 77.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -65.74 -42.64 90.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -45.29 94.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -74.27 -44.14 54.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 31.8 tt0 -67.57 -45.81 74.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 66.6 mm-40 -62.28 -44.93 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 45.5 ttt180 -58.47 -48.91 79.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 26.8 ptm -72.96 -44.98 60.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -58.91 -48.3 81.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.2 ptm -72.53 -40.94 66.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -61.72 -48.56 80.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -83.33 -33.63 25.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -63.91 -10.21 37.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 85.44 48.6 4.71 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.846 ' O ' HG22 ' A' ' 59' ' ' THR . 2.7 p -43.3 -25.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 58' ' ' VAL . 13.0 t 53.46 14.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.7 t 77.87 -43.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' THR . 41.8 mm-40 -53.29 -47.62 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -65.44 -32.9 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.725 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.98 -53.17 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -65.45 -27.39 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -49.7 49.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.44 -43.57 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.0 mt -37.39 -31.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.478 ' N ' ' C ' ' A' ' 66' ' ' PHE . 13.5 mm100 -49.29 -23.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -69.19 166.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.01 129.69 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -157.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.07 10.66 74.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 81.9 m-20 64.78 -68.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.8 ptm 175.45 175.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 32.7 t0 -110.81 173.83 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -140.59 16.96 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 t -100.38 -1.19 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 125.1 48.48 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.83 121.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 26.4 m-85 -99.45 159.88 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.977 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.69 139.39 57.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.099 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.55 -26.68 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.69 ' OE1' HG22 ' A' ' 82' ' ' ILE . 3.9 mp0 -60.46 -28.13 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.977 HG22 ' O ' ' A' ' 81' ' ' SER . 4.9 m -61.45 -35.34 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.993 HG23 HD13 ' A' ' 24' ' ' LEU . 1.1 mm -65.73 -46.79 88.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 40.0 t -55.78 -45.66 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.7 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.0 m-80 -62.86 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.65 -35.35 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.927 HD13 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -67.81 -50.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.1 -46.6 82.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.5 m -71.21 -22.39 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.854 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.2 m95 -80.48 -21.38 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.69 -37.53 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.83 166.52 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' LYS . 9.9 pm0 -122.02 152.35 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.824 HD13 HG22 ' A' ' 170' ' ' VAL . 64.4 tp -124.89 136.23 53.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.636 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.6 pp -146.37 158.22 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.1 OUTLIER -65.36 133.7 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB2' HG23 ' A' ' 169' ' ' VAL . 11.5 t80 -82.81 -42.92 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.692 ' O ' ' C ' ' A' ' 101' ' ' SER . 2.7 m-20 -29.1 -60.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -4.74 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.86 19.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.5 tt0 -70.07 -46.91 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.697 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.0 m-30 -66.91 -46.15 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -55.45 -46.84 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -39.42 93.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -65.53 -24.91 67.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptt85 130.68 61.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.697 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.94 118.52 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.71 154.07 40.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.721 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.01 -39.01 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.71 -18.9 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.0 m-20 -64.83 -10.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.786 ' HG2' HG22 ' A' ' 169' ' ' VAL . 13.6 tp10 -89.67 155.08 19.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -100.96 -3.62 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.2 OUTLIER -173.31 108.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 1.053 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.38 158.36 21.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 82' ' ' ILE . 2.0 mt -123.03 144.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -125.11 140.46 52.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 108.313 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -130.08 126.89 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -113.97 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.93 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -108.76 -74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -59.28 140.17 56.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.725 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.0 p-90 -128.69 164.65 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.5 162.71 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.678 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -114.63 131.82 56.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.053 HG21 ' CE2' ' A' ' 117' ' ' PHE . 13.8 t -117.57 121.23 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.734 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.13 153.38 46.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.551 ' HE3' ' CD1' ' A' ' 135' ' ' TRP . 6.7 mtpt -79.04 103.46 9.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -89.11 122.41 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.585 ' N ' HD22 ' A' ' 131' ' ' LEU . . . 68.85 -79.2 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 23.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 21.2 mm100 -141.06 158.79 43.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -80.97 115.92 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.814 ' HE1' HD13 ' A' ' 147' ' ' LEU . 3.2 m-85 -118.27 138.24 52.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.408 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -86.48 146.81 26.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.6 123.91 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 142' ' ' LEU . 0.8 OUTLIER 167.44 -174.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.8 t -93.73 11.6 28.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.4 tp -88.89 -41.62 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.26 -10.67 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 50.07 19.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.593 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 177.46 170.14 39.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.3 134.97 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.814 HD13 ' HE1' ' A' ' 136' ' ' PHE . 9.5 tp -87.07 125.49 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 147' ' ' LEU . 15.5 mt -104.6 140.38 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.42 151.04 26.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.65 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -55.0 -39.14 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 8.5 t -83.62 -16.5 45.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.48 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -85.61 -47.79 9.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 112' ' ' ILE . 0.9 OUTLIER -54.22 -48.11 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.63 -40.77 98.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -61.16 -52.22 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 1.025 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.04 -32.6 71.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.79 78.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -68.55 -50.48 51.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 1.053 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.63 -32.29 73.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.986 ' N ' HD13 ' A' ' 160' ' ' LEU . 2.7 mt-30 -64.02 -46.59 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -29.43 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.9 mm-40 -71.08 -41.77 70.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.604 ' O ' ' CG ' ' A' ' 165' ' ' TYR . . . -168.08 -96.08 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.604 ' CG ' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 158.17 127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.659 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.54 58.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 1.053 HD11 HD11 ' A' ' 160' ' ' LEU . 1.6 mt -119.93 127.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.099 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.2 m-85 -119.47 113.26 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.786 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -84.67 132.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.824 HG22 HD13 ' A' ' 96' ' ' LEU . 4.2 t -89.87 111.54 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.636 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -114.9 134.02 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 133.2 -151.54 20.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.9 t70 -90.98 119.05 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.839 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -97.75 132.23 25.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.839 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 135.93 19.63 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 4.8 m-20 -82.74 152.1 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -137.02 -165.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.6 mm-40 -52.97 -37.78 61.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.22 -40.82 71.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 183' ' ' LEU . 24.4 t0 -58.26 -34.72 70.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.543 ' OE1' HD23 ' A' ' 182' ' ' LEU . 6.7 tm0? -74.12 -37.05 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 179' ' ' ALA . 13.2 mt -66.8 -29.06 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.77 -41.31 77.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.61 ' N ' HD23 ' A' ' 183' ' ' LEU . 25.0 mm-40 -151.53 -110.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.474 ' CG ' ' HG2' ' A' ' 181' ' ' GLN . 0.0 OUTLIER 65.43 -66.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.654 HD12 ' HA2' ' A' ' 1' ' ' GLY . 2.2 mm 58.42 162.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.38 -57.27 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 188' ' ' VAL . 3.9 p -41.95 114.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -166.99 -52.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.69 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mt -86.73 -46.03 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.44 96.91 0.12 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.7 p -67.33 -44.87 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.822 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.7 mtt -52.83 -16.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.86 -33.36 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.652 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -149.51 54.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.2 mt -89.47 123.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.1 m-30 154.14 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CE1' ' HA2' ' A' ' 30' ' ' GLY . 7.7 t-80 -112.83 135.8 53.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -56.67 -120.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' GLU . 50.8 mmtt 35.05 -120.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -117.25 159.48 22.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.1 mp0 -130.73 171.6 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' ' CD2' ' A' ' 22' ' ' HIS . . . 36.58 54.62 1.35 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.556 ' CB ' ' HB2' ' A' ' 22' ' ' HIS . 4.6 t -52.18 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.2 pp -179.48 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.685 ' N ' HD12 ' A' ' 18' ' ' LEU . 27.3 p -109.11 175.37 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.726 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -49.9 -24.89 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.578 HE22 HD23 ' A' ' 24' ' ' LEU . 37.0 tp60 -47.02 -23.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 5.4 t-80 -68.62 -49.74 56.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 4.5 m -63.32 -35.38 80.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.023 HD22 HG13 ' A' ' 85' ' ' ILE . 32.1 tp -67.22 -35.31 79.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 21' ' ' GLN . 26.5 m120 -66.42 -45.36 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -72.52 -35.91 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 24' ' ' LEU . 6.9 tp -63.68 -47.47 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.766 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.59 -7.74 46.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 76.95 -1.99 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -160.64 137.71 5.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -58.92 -106.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER 66.81 40.47 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CB ' HE21 ' A' ' 21' ' ' GLN . 0.2 OUTLIER -159.65 154.79 25.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -124.57 171.93 6.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.63 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -55.68 -36.05 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -60.64 -44.88 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.8 mt -57.42 -44.34 84.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -59.62 -45.64 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -39.63 77.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.98 -50.51 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.832 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.19 -45.49 79.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 17.3 m170 -68.08 -42.11 80.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 67.8 mt-30 -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.95 -43.02 72.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.31 -45.82 92.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.5 mm-40 -74.36 -47.1 36.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.552 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 4.9 mm-40 -68.31 -51.88 39.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.48 -41.66 90.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.4 ttt180 -68.49 -46.23 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 13.9 mtm -71.84 -51.67 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.9 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 1.05 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.6 ptm -71.05 -48.71 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 53' ' ' MET . . . -60.03 -36.85 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.7 mm-40 -65.75 -50.07 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.8 -6.42 11.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 92.96 -12.8 69.18 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.05 HG13 ' O ' ' A' ' 53' ' ' MET . 2.9 m 48.74 8.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.64 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 35.74 24.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 66.99 -54.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' THR . 13.3 mt-10 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' CG ' ' CG2' ' A' ' 59' ' ' THR . 35.7 m-20 -56.13 -35.15 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.817 ' CD2' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -70.04 -52.93 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.9 mtp180 -67.07 -27.34 67.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -50.55 37.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -79.03 -42.94 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.7 mt -38.28 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' PHE . 36.1 mm-40 -51.7 -24.2 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -65.64 164.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.95 130.82 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -82.7 -152.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 79.52 1.91 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.8 m120 67.98 -67.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.355 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.8 ptm 176.71 172.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 7.2 t70 -110.69 176.03 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -140.87 19.68 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -100.26 12.68 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.94 22.99 5.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -141.95 132.54 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 61.6 m-85 -115.57 160.41 20.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 37.4 t -66.17 139.91 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.087 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -61.7 -26.21 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' OE1' ' CE1' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -60.87 -25.89 67.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 9.7 m -61.66 -37.91 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.023 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -66.76 -37.5 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 23.1 t -62.61 -45.01 94.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.77 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.7 m-80 -63.41 -40.38 97.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.642 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.69 -35.0 74.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.982 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.98 -49.98 58.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.14 -41.6 79.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 87' ' ' ASN . 13.3 m -76.35 -21.24 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.766 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -82.78 -20.8 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.63 -46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.982 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.34 171.32 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' LYS . 2.8 pt-20 -128.95 156.37 43.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 170' ' ' VAL . 7.4 tp -124.97 141.89 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 169' ' ' VAL . 2.8 pp -147.14 158.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.96 135.45 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 167' ' ' ILE . 8.4 t80 -87.25 -43.23 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.651 ' HB2' HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -33.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.9 t -29.56 116.29 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.21 18.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 tp10 -75.46 -45.97 35.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.2 m-85 -63.76 -46.33 85.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.2 mt-30 -55.4 -46.99 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -65.26 -35.7 81.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -69.26 -24.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 48.3 mtp180 131.6 61.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.88 118.33 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 4.4 m-20 -107.23 153.98 40.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.737 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -75.03 -32.65 5.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.713 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -81.88 -26.72 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.5 t-20 -1.52 83.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 113' ' ' ASN . 51.2 tt0 -33.1 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' CZ ' ' O ' ' A' ' 170' ' ' VAL . 0.6 OUTLIER 176.66 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 t -169.75 141.79 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.931 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -133.59 158.56 42.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 82' ' ' ILE . 2.2 mt -126.32 140.32 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.517 ' SG ' HD22 ' A' ' 160' ' ' LEU . 8.7 t -125.71 143.36 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.571 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 5.6 t-20 -129.78 117.72 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -114.15 107.99 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 36.5 88.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 72.48 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.1 131.38 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.867 ' CH2' HD13 ' A' ' 85' ' ' ILE . 37.7 p-90 -129.5 165.17 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -128.86 160.68 31.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.52 121.36 44.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 117' ' ' PHE . 6.7 t -110.67 130.29 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.78 157.02 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -80.64 107.89 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -92.58 122.32 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.79 -80.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -152.0 24.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.74 ' OE1' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -140.7 158.82 43.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.681 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -84.69 115.55 22.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.668 ' CZ ' HD12 ' A' ' 131' ' ' LEU . 3.7 m-85 -116.29 142.8 46.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.871 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -95.48 146.85 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.67 125.89 18.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.721 ' HB3' HD23 ' A' ' 141' ' ' LEU . 3.4 t30 -179.23 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.8 m 158.3 -22.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.721 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -70.66 -17.92 62.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.56 -1.93 56.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.44 23.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.581 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 152.44 178.46 27.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.33 5.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 115.86 8.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.74 HD11 ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -66.62 128.17 35.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.871 HD11 ' OD1' ' A' ' 137' ' ' ASN . 9.2 mt -108.55 113.61 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.52 142.64 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.5 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -55.11 -28.42 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.6 t -83.58 -24.96 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.99 -44.43 11.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.2 OUTLIER -54.06 -47.73 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.92 -46.05 79.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.963 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.88 -35.58 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.828 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.56 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.706 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -62.09 -34.72 76.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.54 92.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.524 ' O ' ' CG ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -60.94 -49.24 78.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.894 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.501 HE21 ' HB3' ' A' ' 161' ' ' GLN . 0.3 OUTLIER -61.16 -43.08 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.349 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -31.22 68.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.4 mm-40 -67.58 -38.28 83.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.721 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.74 -91.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.721 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 156.89 113.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -175.55 73.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.894 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.4 mt -135.13 132.12 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -120.9 147.46 45.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.931 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.39 125.65 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.3 140.82 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 123.36 -158.21 17.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.562 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 4.9 t0 -89.07 118.43 28.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.762 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.1 tm? -107.97 129.81 23.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.762 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -84.04 155.42 22.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.75 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.96 -36.69 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.57 -39.53 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 17.0 t70 -58.49 -35.49 72.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 185' ' ' MET . 86.0 mt-30 -74.13 -37.12 64.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.652 HD11 ' O ' ' A' ' 8' ' ' SER . 28.1 mt -63.91 -33.98 76.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -56.85 -48.35 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.8 OUTLIER -110.56 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' GLN . 0.4 OUTLIER -42.65 120.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.598 HG22 ' N ' ' A' ' 187' ' ' ARG . 3.9 mp -99.61 -113.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.598 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.3 OUTLIER 45.86 86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 54.8 t -42.28 -63.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -178.84 115.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.51 -61.39 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.36 106.33 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER -72.0 -48.04 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.756 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.6 mtt -53.34 -16.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.01 -22.73 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.609 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.85 51.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 6' ' ' MET . 9.7 mt -95.93 123.29 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.7 p90 168.06 -151.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.939 ' HE1' ' HB2' ' A' ' 13' ' ' LYS . 3.3 t-80 -103.83 135.87 44.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.611 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.56 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.5 -86.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.939 ' HB2' ' HE1' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -40.12 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.626 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -105.49 159.42 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 16' ' ' GLY . 16.8 tt0 -110.86 -40.26 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 37.82 -158.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 2.0 p 159.61 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.7 pp -91.16 -59.31 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.673 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.6 p -116.06 174.01 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.828 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.43 -26.17 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -48.2 -32.35 6.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.625 ' CD2' ' HA ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -54.92 -50.04 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 27' ' ' LEU . 68.0 m -67.65 -39.65 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 HD21 ' A' ' 89' ' ' LEU . 13.8 tp -63.39 -39.5 94.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -63.22 -46.35 87.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -65.21 -47.5 76.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 92' ' ' TRP . 21.7 mt -74.63 -22.63 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 9.0 tp60 64.94 118.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.646 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 103.96 136.58 8.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -85.31 107.09 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 9.2 m-85 -144.32 -22.61 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.789 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.55 154.1 18.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -132.39 178.9 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.689 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.69 -36.27 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 12.3 mt-10 -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.6 mt -57.56 -45.36 85.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.24 -45.97 89.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -33.91 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.99 -48.46 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.778 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.06 -47.87 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 39' ' ' SER . 5.1 m170 -64.7 -47.63 77.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 4.4 mt-30 -63.07 -33.16 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -66.51 -44.11 83.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 19.5 t0 -60.56 -47.2 87.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.617 ' CG ' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -74.35 -38.87 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 40.4 tt0 -72.39 -55.09 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -60.26 -37.14 79.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.8 ttm180 -64.76 -49.37 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.9 ptm -72.55 -42.02 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.2 ttt180 -62.25 -49.93 73.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.503 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.0 ptm -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.32 78.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.62 -32.6 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -64.9 -9.25 39.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 88.71 50.71 3.26 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.05 -28.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 53.09 13.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 t 78.65 -46.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.64 -47.42 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 1.1 m-20 -62.43 -33.37 74.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.36 -53.3 30.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -65.52 -30.49 71.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -49.89 65.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.63 -42.16 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' PHE . 13.6 mt -37.59 -30.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.9 mm100 -50.51 -22.99 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -68.13 162.94 55.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.0 -160.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 70' ' ' PRO . 11.8 p -34.49 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA2' ' OG ' ' A' ' 81' ' ' SER . . . 98.34 37.95 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.772 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.2 OUTLIER -136.94 11.3 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.772 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER 54.13 149.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 38.0 t0 -111.18 162.94 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.49 32.5 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -114.9 4.84 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.68 36.46 2.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -152.11 137.53 17.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.983 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.755 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 84.7 m-85 -112.31 159.54 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 1.0 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.3 t -66.98 139.5 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.025 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -60.28 -27.53 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 6.8 mt-30 -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 81' ' ' SER . 10.5 m -60.84 -39.88 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.782 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.31 -45.13 99.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 13.1 t -55.81 -45.49 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.948 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.8 m-80 -62.01 -39.13 91.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.789 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.2 -39.09 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 ' CD1' ' A' ' 94' ' ' LEU . 3.3 mt -66.54 -47.51 72.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -57.01 -48.77 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.948 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -71.05 -20.77 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.74 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.4 m95 -81.56 -20.75 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.34 -38.88 1.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.29 170.37 10.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -125.51 150.88 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -124.73 125.93 44.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.705 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -142.51 159.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.34 136.52 57.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' OE1' ' A' ' 105' ' ' GLN . 7.8 t80 -88.78 -39.24 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.935 HD22 HG13 ' A' ' 167' ' ' ILE . 9.4 m120 -29.17 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.3 OUTLIER -25.36 107.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.943 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.01 -14.97 20.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.4 tt0 -69.48 -47.19 64.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.67 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 5.1 m-85 -69.1 -46.65 67.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.23 -46.93 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 3.3 mtt-85 -64.8 -41.51 95.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.26 -24.75 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt180 129.65 63.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.67 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.89 119.6 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.638 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.88 154.92 39.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.95 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.657 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.61 -18.29 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.638 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -65.06 -13.66 58.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.604 ' CD ' HG13 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -91.64 -177.2 4.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -111.47 -49.06 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.654 ' O ' HG13 ' A' ' 170' ' ' VAL . 0.6 OUTLIER -124.58 118.71 27.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.701 ' CE2' ' HA ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -114.06 145.53 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 1.009 HD12 HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -120.71 141.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.49 ' SG ' HD22 ' A' ' 160' ' ' LEU . 11.0 t -127.5 142.94 51.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.322 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.2 OUTLIER -129.48 123.71 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.626 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.6 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 37.9 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.3 tt0 -106.51 113.13 26.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 0.7 OUTLIER 95.52 140.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.646 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.828 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.1 p-90 -128.76 165.31 21.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.741 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.27 158.51 37.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.963 HG23 HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -115.43 126.85 54.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.629 ' N ' ' O ' ' A' ' 117' ' ' PHE . 12.4 t -112.51 127.25 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 21.0 ptt-85 -128.98 146.63 50.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 20.9 pttp -70.95 120.99 17.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 9.3 tt -119.68 121.75 39.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.534 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 67.44 -108.07 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.27 14.62 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -141.43 154.57 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.657 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 9.3 m95 -76.94 137.2 38.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.6 m-85 -128.22 133.03 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.699 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -91.49 150.94 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.443 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -148.06 134.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.51 ' HB3' HD23 ' A' ' 141' ' ' LEU . 31.1 t30 175.67 -69.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.0 t 161.21 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -70.38 -22.14 62.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.47 -2.62 58.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.32 23.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.652 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 151.07 176.8 24.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.44 ' CB ' HD21 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -48.3 157.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.12 123.71 46.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.699 HD11 ' OD1' ' A' ' 137' ' ' ASN . 15.7 mt -114.62 119.73 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.33 148.28 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -54.95 -34.77 63.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.81 -17.18 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.413 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -86.89 -42.6 13.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.4 tm? -54.45 -48.36 71.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.519 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.64 -44.65 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.93 -36.46 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.814 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.69 -50.07 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 111' ' ' PRO . 4.3 mt -59.59 -34.74 73.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.39 87.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -60.73 -49.85 75.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.895 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.37 -38.76 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.7 mt-30 -60.92 -40.46 93.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -70.97 -33.68 70.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 159' ' ' GLN . 0.3 OUTLIER -64.69 -42.26 95.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.71 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.71 -87.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.71 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 156.23 121.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.759 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER 179.65 72.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.935 HG13 HD22 ' A' ' 100' ' ' ASN . 2.7 mt -135.5 128.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.025 ' CE2' HG21 ' A' ' 82' ' ' ILE . 2.3 m-85 -117.9 130.83 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.604 HG13 ' CD ' ' A' ' 114' ' ' GLU . 1.2 t -108.53 128.78 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.938 HG23 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -98.62 116.93 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.499 ' HB3' ' NH2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -114.43 143.82 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 136.37 -144.46 16.18 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 1.013 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.8 m-20 -96.66 118.8 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 27' ' ' LEU . 1.6 tm? -102.87 126.3 33.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.584 ' O ' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 162.16 37.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -98.09 135.54 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 14.9 p -109.2 -177.29 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.87 -42.77 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.23 -38.21 70.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 176' ' ' ASP . 1.0 OUTLIER -57.77 -34.56 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.7 OUTLIER -75.69 -40.75 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 179' ' ' ALA . 8.2 mt -62.69 -27.08 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.4 OUTLIER -56.46 -43.0 79.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.508 ' N ' HD13 ' A' ' 183' ' ' LEU . 4.0 mm-40 -147.1 -68.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.694 ' CE ' HG21 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -40.36 167.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.48 -91.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER -71.85 -55.49 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.694 HG21 ' CE ' ' A' ' 185' ' ' MET . 12.2 p 34.27 55.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.38 110.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.18 -49.15 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.78 105.76 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.55 ' OG ' HD11 ' A' ' 9' ' ' ILE . 54.0 p -59.01 -33.11 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.803 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -52.29 -11.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 5' ' ' SER . 14.5 pt-20 -53.08 -47.34 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.641 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.6 OUTLIER -136.41 49.98 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.803 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -86.19 123.78 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 159.46 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.679 ' HE2' ' C ' ' A' ' 13' ' ' LYS . 3.0 t60 -91.37 135.75 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.91 -99.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.679 ' C ' ' HE2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -92.06 92.84 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.698 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -90.36 144.74 25.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.698 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -84.26 -38.69 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . 167.13 154.23 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 m -112.45 135.12 53.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.4 pp -163.1 -49.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.4 p -115.34 174.71 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.26 -24.97 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.737 ' OE1' HD21 ' A' ' 38' ' ' LEU . 6.2 tp60 -47.12 -32.49 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -57.09 -50.59 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.595 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -64.83 -39.25 93.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.875 HD11 HD21 ' A' ' 89' ' ' LEU . 7.4 tp -63.26 -42.44 99.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 23.6 m120 -59.43 -45.64 90.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.43 -26.41 62.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.664 ' CD2' HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -75.14 -47.21 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 58.0 mt -75.3 -1.46 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.75 -46.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.652 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -119.36 132.42 9.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.49 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 74.7 42.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.11 155.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.86 179.36 1.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -33.18 4.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.32 -46.23 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.2 mt-10 -60.99 -45.6 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.737 HD21 ' OE1' ' A' ' 21' ' ' GLN . 2.9 tp -57.03 -45.55 83.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -62.79 -37.8 88.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -75.1 -31.84 61.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.3 tt -71.71 -41.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.82 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.73 -47.46 75.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.2 m170 -60.88 -47.17 87.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.8 mt-30 -61.79 -34.05 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -64.4 -45.7 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -59.95 -44.7 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' O ' ' HE2' ' A' ' 51' ' ' MET . 49.9 mt-10 -73.73 -40.84 63.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 37.0 mt-10 -69.54 -55.55 9.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.28 -38.0 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.1 ttm180 -61.31 -49.81 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 23.4 ptp -73.3 -46.49 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' N ' ' HG3' ' A' ' 51' ' ' MET . 4.6 tpt180 -58.54 -47.9 82.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.609 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.9 ptm -72.19 -42.61 65.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.3 78.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' GLY . 1.2 mm-40 -80.54 -56.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -40.4 -23.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 103.42 58.0 0.74 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -43.61 -26.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 52.53 15.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 2.9 t 76.27 -51.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -53.51 -47.82 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.5 m-20 -58.72 -33.47 70.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.32 -34.98 79.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -50.68 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -79.27 -44.0 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 63' ' ' TYR . 12.0 mt -35.55 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.3 mm100 -47.77 -23.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -72.56 165.52 50.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.338 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.97 130.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -153.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 77.01 0.18 68.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 69.98 -60.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.604 ' HE1' ' CE2' ' A' ' 80' ' ' PHE . 24.7 ptm 177.18 -176.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.7 -176.32 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.67 23.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t -108.93 3.96 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.82 35.62 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -164.35 135.5 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' ' HE1' ' A' ' 74' ' ' MET . 61.5 m-85 -111.13 159.74 17.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 t -66.76 143.23 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.077 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -57.45 -27.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.6 mt-30 -63.17 -24.61 67.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.48 -43.77 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.824 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.54 -40.99 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 22.9 t -59.51 -44.18 93.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.914 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -40.85 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.01 -34.65 69.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.875 HD21 HD11 ' A' ' 24' ' ' LEU . 1.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.98 -44.65 82.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.7 m -73.59 -21.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.77 -20.73 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.92 -39.59 1.84 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.7 OUTLIER -90.41 169.09 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.1 pt-20 -124.83 152.87 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.76 125.14 43.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.72 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -134.29 158.36 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.737 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -65.46 136.52 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t80 -85.99 -44.26 12.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.797 ' ND2' ' CD1' ' A' ' 165' ' ' TYR . 0.6 OUTLIER -26.79 -56.96 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.658 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -11.56 107.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.004 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HA ' ' HG3' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -75.0 -15.77 20.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.4 tt0 -66.73 -47.74 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.659 ' O ' HD13 ' A' ' 109' ' ' ILE . 10.2 m-85 -69.87 -44.56 69.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.56 -46.72 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -66.47 -40.94 89.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -62.42 -25.14 67.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 20.6 mtt180 130.14 62.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -126.88 120.71 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 154.75 39.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.694 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.01 -35.93 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.528 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.85 -18.84 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.61 61.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 117' ' ' PHE . 2.6 pm0 -162.22 -178.53 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.585 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -117.0 -14.86 10.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 11.4 t -167.53 121.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.41 158.65 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -125.58 135.98 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.97 143.38 51.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.73 126.05 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.12 -90.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 16.6 tt0 -107.06 111.8 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.0 t-160 97.19 139.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.824 ' CH2' HD13 ' A' ' 85' ' ' ILE . 40.7 p-90 -128.81 165.06 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.761 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 2.3 m-85 -129.02 161.35 30.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.4 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -113.43 126.65 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 117' ' ' PHE . 57.1 t -105.28 121.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 130' ' ' LYS . 55.8 ttt-85 -118.41 152.96 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.448 ' C ' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -94.39 126.06 39.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.786 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 3.4 mm? -110.19 121.63 45.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 65.23 -84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 30.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' HB3' HD21 ' A' ' 147' ' ' LEU . 15.2 mm-40 -140.68 160.38 40.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.645 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -98.32 130.65 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 131' ' ' LEU . 4.2 m-85 -131.56 143.46 50.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.511 ' CG ' HG22 ' A' ' 128' ' ' VAL . 3.2 t-20 -95.35 133.91 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -139.5 138.53 36.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 140' ' ' SER . 12.4 t-20 174.43 -46.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.8 m 144.9 -19.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.761 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.64 -29.48 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.729 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.94 -9.25 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.67 23.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.452 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 176.1 154.79 11.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 65.06 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -54.23 144.54 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -88.59 125.13 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 137' ' ' ASN . 31.2 mt -104.84 146.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.645 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -54.91 -37.66 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 6.0 t -83.52 -3.37 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.23 -48.9 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -54.0 -47.94 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.54 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.72 -44.44 81.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.87 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.909 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.24 -52.07 65.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.59 -34.46 74.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.33 88.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.488 ' CG ' HD22 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.52 -48.52 72.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.28 -34.11 77.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 9.5 mt-30 -64.71 -46.82 80.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -71.16 -27.05 63.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.3 -32.44 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.95 -96.67 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.797 ' CD1' ' ND2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 157.07 115.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -177.93 73.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 10.1 mt -134.83 130.1 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 1.077 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -120.78 143.02 49.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.8 p -112.26 128.89 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -86.88 110.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.88 138.33 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 131.62 -157.42 22.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 1.023 ' O ' HD22 ' A' ' 94' ' ' LEU . 20.0 t0 -85.36 120.04 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 27' ' ' LEU . 1.7 tm? -110.97 125.57 30.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.582 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.04 159.34 41.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ASP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -97.12 153.18 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 177' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 p -124.84 -173.01 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 108.332 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 181' ' ' GLN . 1.2 mm-40 -53.31 -38.03 62.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.786 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -55.72 -33.54 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 31.9 t70 -58.28 -40.57 82.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.93 -36.56 64.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 8' ' ' SER . 45.2 mt -64.75 -27.61 69.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.7 OUTLIER -56.87 -49.6 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.844 ' HB2' HD13 ' A' ' 183' ' ' LEU . 1.7 mt-30 -173.32 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.454 ' O ' ' O ' ' A' ' 186' ' ' ILE . 0.0 OUTLIER -76.0 54.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.454 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.0 OUTLIER -54.05 -107.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 165.47 -169.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 188' ' ' VAL . 2.8 p -139.37 59.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.56 110.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.5 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.581 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.9 -13.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 5' ' ' SER . 21.1 mm-40 -52.81 -33.72 50.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.598 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.07 58.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 8.1 mt -87.43 123.67 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 156.52 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 26' ' ' ASN . 11.0 t-160 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' A' ' 19' ' ' CYS . 4.0 pp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' A' ' 18' ' ' LEU . 29.4 m -115.02 174.55 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.736 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.4 -24.05 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.752 ' OE1' HD23 ' A' ' 24' ' ' LEU . 4.1 tp-100 -46.39 -22.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.485 ' CE1' HD21 ' A' ' 26' ' ' ASN . 31.0 t60 -69.95 -52.14 26.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.52 -36.5 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' OE1' ' A' ' 21' ' ' GLN . 33.1 tp -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 16.9 m120 -61.22 -42.98 99.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 38.5 m-20 -68.91 -40.54 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 24' ' ' LEU . 3.7 tp -63.44 -46.95 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.679 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.53 -9.06 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.94 -5.35 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.731 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.24 131.56 2.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -56.19 -108.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.731 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.2 m-85 75.04 13.53 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -128.89 147.54 50.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 2.3 m -111.99 167.33 9.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.621 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -32.73 5.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.11 -41.96 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.4 mt-10 -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 84' ' ' VAL . 1.4 mt -56.73 -45.12 82.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.595 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -64.32 -43.31 95.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -40.59 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -61.6 -44.33 98.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.06 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -62.46 -47.14 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.9 m170 -62.17 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 6.3 mm-40 -62.37 -34.53 76.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.37 -46.5 86.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.19 -44.43 95.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -72.05 -40.47 68.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 51' ' ' MET . 8.8 mt-10 -74.33 -53.68 9.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.3 ttp180 -70.17 -48.84 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.6 ptm -72.44 -45.85 57.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.32 -50.08 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.529 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 1.8 ptm -72.15 -42.77 65.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.3 -48.69 74.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -63.18 -60.61 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.17 -13.31 3.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 99.22 -20.61 49.33 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.8 p 49.65 7.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t 35.92 20.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 65.64 -50.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 1.8 mm-40 -53.43 -47.56 69.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 7.6 m-20 -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.72 -53.1 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -27.28 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -69.79 -49.61 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.521 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.27 -41.74 33.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.0 mt -40.14 -28.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' C ' ' A' ' 66' ' ' PHE . 21.3 mm-40 -53.14 -26.74 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.542 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.6 mt-30 -63.99 164.68 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.0 129.37 12.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -84.85 -151.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.97 2.17 84.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 74' ' ' MET . 8.2 m-20 62.8 -72.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLY . 22.9 ptm 177.55 165.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.0 t0 -110.32 -178.51 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.43 21.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -98.48 3.64 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.73 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -164.76 141.92 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 36.8 m-85 -119.5 158.64 25.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.36 139.47 57.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.027 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.108 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.34 -27.25 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.5 mp0 -61.75 -24.69 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.06 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.81 -39.03 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.836 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.3 -38.33 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 36.0 t -61.65 -45.33 94.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.711 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.83 -42.01 98.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -71.02 -34.63 71.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.89 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -65.58 -49.99 66.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -57.36 -47.71 80.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 87' ' ' ASN . 9.3 m -70.7 -19.96 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -83.74 -20.77 32.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.32 -42.1 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.89 HD11 HD13 ' A' ' 89' ' ' LEU . 1.4 pt? -90.23 170.48 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 171' ' ' LYS . 8.8 pt-20 -127.03 154.45 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.74 125.77 44.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.2 pp -136.22 159.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.759 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.23 141.64 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.512 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.6 t80 -93.31 -43.47 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.708 HD21 ' N ' ' A' ' 166' ' ' SER . 16.2 m-80 -31.62 -45.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.604 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.6 t -21.65 106.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.48 20.73 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.7 mt-10 -70.67 -47.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.688 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -69.53 -47.01 65.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -54.91 -47.1 74.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -64.72 -41.69 95.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.767 ' O ' ' HG2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.41 -23.43 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 1.2 mmt-85 127.78 64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.688 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.04 117.82 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -107.5 153.93 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.703 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.03 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.567 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.09 -23.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 2.8 m-20 -57.45 -20.13 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.767 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -87.63 -174.12 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.966 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -120.38 -29.84 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.9 t -137.95 121.87 17.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.998 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -120.68 153.2 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 82' ' ' ILE . 1.3 mt -126.9 141.02 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.3 146.71 49.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.5 OUTLIER -130.01 125.89 36.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -110.78 108.28 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 53.95 -84.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -109.11 -68.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.349 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -63.68 144.86 56.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.592 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.836 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.7 p-90 -128.7 164.38 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -129.35 162.12 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.475 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -113.82 128.9 56.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 117' ' ' PHE . 18.9 t -109.21 127.41 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 21.8 ttp-105 -123.83 136.74 54.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -80.73 104.02 10.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -98.57 122.29 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.456 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.2 -97.83 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -136.06 16.38 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.508 HE22 ' N ' ' A' ' 150' ' ' ASP . 7.9 mm100 -137.34 160.36 39.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.567 ' NE1' HG22 ' A' ' 112' ' ' ILE . 89.1 m95 -89.44 144.14 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.702 ' HE1' HD12 ' A' ' 147' ' ' LEU . 2.4 m-85 -134.2 124.41 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.41 137.85 38.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.96 131.19 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' H ' HD21 ' A' ' 142' ' ' LEU . 26.9 t-20 176.68 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.6 p 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.559 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.4 -23.3 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.73 -2.34 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.82 25.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.52 -169.42 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HB2' ' CD2' ' A' ' 136' ' ' PHE . 18.2 Cg_endo -75.05 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.45 102.86 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.702 HD12 ' HE1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -62.2 125.28 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 153' ' ' LEU . 90.4 mt -118.4 119.93 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.44 154.18 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.508 ' N ' HE22 ' A' ' 134' ' ' GLN . 0.6 OUTLIER -58.73 -34.56 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.4 -9.76 58.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -96.89 -43.9 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 153' ' ' LEU . 1.1 tm? -54.37 -47.96 72.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.22 -39.44 94.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.856 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -64.5 -51.67 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.655 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -58.17 -34.51 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.5 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.618 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -61.33 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.01 -36.39 82.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.2 mt-30 -62.73 -46.54 87.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.85 -28.49 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -29.42 61.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.31 -98.81 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.706 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 106.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.962 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.708 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -167.72 70.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.1 mt -134.25 136.99 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.108 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -122.26 127.65 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.998 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -91.9 120.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.628 HG13 HD12 ' A' ' 89' ' ' LEU . 4.4 t -90.11 111.25 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.558 ' HE3' HD11 ' A' ' 97' ' ' ILE . 11.9 ptpt -117.41 144.81 44.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 130.99 -153.81 20.5 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.74 ' O ' HD22 ' A' ' 94' ' ' LEU . 3.8 m-20 -92.75 119.36 32.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.966 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 1.6 tm? -108.41 125.64 31.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.575 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.96 157.12 43.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -93.14 151.33 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.06 -165.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 3.8 mm-40 -53.02 -42.54 65.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -55.6 -39.27 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.9 t70 -58.36 -35.11 71.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 8' ' ' SER . 17.7 mt -61.77 -30.8 71.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.4 OUTLIER -57.01 -44.19 82.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.733 ' HB2' HD13 ' A' ' 183' ' ' LEU . 4.3 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 182' ' ' LEU . 26.3 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.834 ' HA ' HD12 ' A' ' 9' ' ' ILE . 1.8 ttt -53.72 -13.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -53.84 -35.19 61.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.705 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -151.67 59.3 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -92.69 124.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 160.63 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.62 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 10.1 t-160 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 35' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.681 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.5 m -115.06 174.36 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.93 -25.88 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.3 -25.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -61.74 -50.21 73.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.498 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 2.2 m -68.26 -39.67 82.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 85' ' ' ILE . 23.0 tp -61.94 -45.89 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.631 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 15.4 m120 -59.42 -44.72 92.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.523 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.2 m120 -72.09 -28.14 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -47.42 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -72.18 -24.44 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 tp-100 68.0 112.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.658 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 102.11 102.46 2.64 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 101.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 6.3 m-30 -116.9 -45.01 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CE1' ' ND2' ' A' ' 25' ' ' ASN . 2.8 p90 -100.99 154.96 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.546 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -106.75 -178.76 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.828 ' HB3' HD21 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.86 -41.82 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 5.1 mt-10 -58.26 -38.99 78.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 21' ' ' GLN . 2.6 tp -59.56 -45.66 91.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -58.8 -46.32 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -33.65 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.0 -46.9 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.775 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.91 -47.91 76.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.6 m170 -61.79 -48.0 82.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.675 ' O ' ' N ' ' A' ' 48' ' ' GLU . 62.4 mt-30 -65.23 -33.79 76.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.42 -48.02 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -61.57 -45.13 95.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 mt-10 -74.0 -46.7 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.675 ' N ' ' O ' ' A' ' 44' ' ' GLN . 26.5 tt0 -68.43 -52.24 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.3 tp10 -59.53 -41.66 90.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.0 ttp180 -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.2 ptm -73.43 -42.63 61.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.8 tpp180 -59.42 -50.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 5.9 ptm -71.38 -42.11 68.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.32 -32.02 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.51 -7.54 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 86.67 51.96 3.29 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.33 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.6 t 52.72 14.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 58' ' ' VAL . 7.4 t 77.13 -49.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.3 -47.43 69.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 49.8 m-20 -61.85 -33.3 73.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.53 -53.64 44.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.594 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.2 mmm180 -67.09 -27.2 67.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -50.39 42.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.32 -44.52 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.5 mt -35.26 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 23.1 mm-40 -47.41 -22.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -76.32 164.45 59.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.02 132.23 15.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.6 p -102.59 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 90.08 12.32 62.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.2 m-20 64.76 -73.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.5 ptm 174.02 176.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -110.79 -176.72 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.51 13.74 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -87.99 -11.45 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 123.53 43.92 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -155.17 126.14 7.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.916 ' CD2' HD23 ' A' ' 38' ' ' LEU . 41.6 m-85 -102.22 159.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 1.023 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.39 147.93 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.1 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.55 -27.58 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.501 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.36 -25.03 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.023 HG22 ' O ' ' A' ' 81' ' ' SER . 4.8 m -61.17 -40.27 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.875 HG13 HD22 ' A' ' 24' ' ' LEU . 1.2 mp -62.37 -39.96 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.909 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.0 m-80 -61.25 -39.84 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.6 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -72.61 -34.57 67.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.716 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.47 -50.24 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.17 -46.93 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.4 m -70.93 -21.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.9 m95 -82.95 -20.73 34.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.63 -39.71 1.83 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.923 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.55 169.21 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.4 pt-20 -131.71 155.12 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 168' ' ' PHE . 12.0 tp -124.9 136.58 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.635 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.5 pp -138.57 159.06 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.721 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.63 123.86 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' C ' ' A' ' 100' ' ' ASN . 58.3 t80 -72.39 -51.1 21.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 98' ' ' LEU . 24.9 m120 -23.74 -64.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.676 ' C ' ' O ' ' A' ' 100' ' ' ASN . 3.4 t -8.36 110.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -28.9 8.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.0 mt-10 -61.11 -46.7 89.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.587 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.9 m-85 -65.29 -46.54 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.8 -46.26 78.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -68.05 -32.69 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.735 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -69.68 -25.37 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.735 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 16.2 mtt180 133.28 57.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.587 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -127.0 117.77 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 1.4 m-20 -107.51 151.09 40.85 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.97 -33.42 4.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.65 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.06 -22.56 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.3 t-20 -20.35 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 2.3 pt-20 -30.34 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -175.84 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 170' ' ' VAL . 21.3 t -124.21 120.02 31.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.043 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.15 158.1 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.821 HD12 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -127.94 148.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 5.1 t -127.48 145.84 50.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 166' ' ' SER . 1.6 t-20 -133.95 122.75 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -114.02 107.99 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.24 -90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -104.64 111.49 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.614 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.1 t-160 97.24 139.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.575 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.791 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 53.1 p-90 -128.92 165.0 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.032 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.95 158.67 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.52 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.55 135.93 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.043 HG21 ' CE2' ' A' ' 117' ' ' PHE . 15.6 t -123.63 130.68 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -131.58 143.82 50.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -71.42 106.64 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.59 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -92.3 117.87 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 131' ' ' LEU . . . 58.95 -95.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 7.5 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.807 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 131' ' ' LEU . 16.9 mm100 -124.52 159.71 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CD1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -94.18 113.9 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.644 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.2 m-85 -109.69 140.07 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -97.92 146.88 25.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.498 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -141.18 128.93 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.55 ' OD1' HD23 ' A' ' 141' ' ' LEU . 3.8 t-20 -174.83 -73.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 139' ' ' ASN . 0.4 OUTLIER 169.55 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.13 -20.11 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.746 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.1 -4.02 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.76 25.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 146.03 -175.18 25.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 156.56 33.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.619 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -102.1 123.69 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.629 HD11 ' OD1' ' A' ' 137' ' ' ASN . 19.9 mt -116.66 116.18 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 146.11 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.444 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -55.09 -30.66 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.5 t -83.64 -21.42 32.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -86.49 -46.61 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -54.08 -47.25 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.28 89.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.57 -38.82 90.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.866 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.99 -51.81 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.71 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -60.87 -34.51 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.71 95.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.609 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -63.97 -48.62 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.84 -32.64 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.1 mt-30 -66.27 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.22 -25.78 62.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.77 -35.02 62.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.693 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.28 -96.17 0.1 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.693 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.56 109.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -165.97 68.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.968 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.3 mt -133.6 136.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -123.72 124.86 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.493 HG13 ' CZ ' ' A' ' 115' ' ' ARG . 1.2 t -96.13 122.02 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.643 HG22 HD13 ' A' ' 96' ' ' LEU . 10.5 t -86.83 110.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.635 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -116.77 138.09 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.42 -157.41 23.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.923 ' O ' HD22 ' A' ' 94' ' ' LEU . 30.1 t70 -85.12 119.11 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.6 tm? -104.38 126.4 31.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.576 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.03 152.16 40.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.7 161.99 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 179' ' ' ALA . 31.9 p -146.87 172.88 12.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.93 -42.23 65.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.59 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.584 ' HA ' HD23 ' A' ' 183' ' ' LEU . 32.5 t70 -58.36 -34.66 70.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -75.75 -41.02 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.705 HD11 ' O ' ' A' ' 8' ' ' SER . 19.6 mt -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 180' ' ' ASP . 0.3 OUTLIER -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.474 ' HG3' HD12 ' A' ' 183' ' ' LEU . 6.2 mt-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.66 ' O ' HD13 ' A' ' 182' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.872 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.2 mtt -55.54 -14.8 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.63 -24.59 49.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.819 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -139.51 43.88 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 6' ' ' MET . 2.1 mt -94.35 123.82 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CG ' ' C ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 157.71 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.804 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.804 ' H ' HD23 ' A' ' 18' ' ' LEU . 77.5 m -115.51 173.81 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -54.68 -24.33 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.837 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.85 -45.82 20.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -59.22 -44.17 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -42.81 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 85' ' ' ILE . 31.5 tp -64.38 -38.27 90.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' GLU . 12.3 m-20 -62.12 -44.56 96.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 5.6 m-20 -73.68 -32.68 64.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -69.32 -7.18 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.99 -9.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -160.87 161.42 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -71.52 -102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 66.88 28.79 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -155.19 141.61 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -110.64 172.41 3.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.458 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -23.34 13.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.81 -43.99 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.18 -48.55 81.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.837 HD12 ' HB2' ' A' ' 21' ' ' GLN . 4.7 mt -57.15 -34.51 68.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.629 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 21.4 t -68.18 -45.89 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -31.01 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.0 -47.55 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.718 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -56.5 -48.52 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 39' ' ' SER . 6.3 m170 -64.6 -46.74 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 48' ' ' GLU . 72.8 mt-30 -64.44 -33.99 77.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.65 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.15 -47.92 80.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 26.5 t70 -60.27 -44.86 94.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.98 -47.33 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 44' ' ' GLN . 3.3 tt0 -68.04 -51.43 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 tp10 -59.53 -42.53 92.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 12.2 ttp180 -59.18 -49.27 78.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.0 ptm -73.19 -43.54 61.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.589 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tpp180 -59.12 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.512 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.1 ptm -70.76 -42.66 70.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.98 -48.8 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -79.27 -31.32 43.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -66.4 -7.55 40.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 87.24 50.19 3.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -40.25 -28.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 0.811 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.5 t 52.94 13.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 58' ' ' VAL . 5.6 t 77.9 -47.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.29 -47.49 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 10.3 m-20 -62.93 -32.92 74.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.26 -53.76 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.7 mmm-85 -67.26 -27.47 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.64 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.46 -44.96 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 63' ' ' TYR . 12.0 mt -35.0 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.8 mm-40 -47.08 -22.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.614 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.1 mt-30 -74.52 160.56 80.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 m -133.21 -105.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 53.15 43.79 63.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 74' ' ' MET . 28.7 m-20 63.61 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.777 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 4.1 ptt? 178.67 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.747 ' N ' ' HG3' ' A' ' 74' ' ' MET . 0.6 OUTLIER -112.23 -175.42 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.93 -29.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.55 -42.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . -166.67 54.88 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.777 ' CZ ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -158.2 158.72 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CD2' ' CB ' ' A' ' 19' ' ' CYS . 32.4 m-85 -119.74 159.27 24.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.989 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.95 145.21 55.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.128 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.69 -28.98 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -62.98 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 81' ' ' SER . 3.2 m -61.14 -36.87 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.943 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.72 -42.63 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -59.01 -44.87 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 2.0 m-80 -61.27 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.65 -32.16 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -67.6 -49.55 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 18.3 ptpt -57.05 -48.21 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.9 m -68.7 -24.04 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.7 m95 -80.68 -21.0 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.24 -37.6 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 173' ' ' ASP . 1.2 pt? -90.65 170.83 9.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 171' ' ' LYS . 12.3 pt-20 -134.4 154.74 51.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 168' ' ' PHE . 13.5 tp -124.77 141.91 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 96' ' ' LEU . 1.1 pp -143.6 160.14 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -63.71 138.4 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.934 ' HB2' HG13 ' A' ' 169' ' ' VAL . 32.2 t80 -84.67 -50.74 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.71 ' HB2' HD12 ' A' ' 98' ' ' LEU . 7.6 m-20 -25.28 -57.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.673 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.5 t -8.88 102.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.16 20.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 mt-10 -72.15 -46.66 55.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.648 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.4 m-85 -68.12 -46.49 70.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -55.37 -46.53 76.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.38 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.737 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.34 -24.52 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.737 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptm180 131.14 60.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.648 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.85 119.92 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.534 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -106.7 154.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.99 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.791 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -75.65 -23.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -60.27 -16.75 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.75 119.14 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -67.71 -8.46 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -165.68 110.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.24 158.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.91 HD12 HD11 ' A' ' 82' ' ' ILE . 2.6 mt -123.27 144.75 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -127.33 144.21 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.8 OUTLIER -131.92 124.62 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -114.09 108.34 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.2 mppt? 34.72 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tt0 -102.21 111.39 23.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.589 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.2 t-160 94.5 140.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.851 ' CH2' HD13 ' A' ' 85' ' ' ILE . 58.6 p-90 -128.87 165.02 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.614 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -128.51 159.39 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.48 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -111.81 132.5 54.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.1 HG21 ' CE2' ' A' ' 117' ' ' PHE . 23.6 t -114.76 121.76 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.424 ' NH1' ' HG ' ' A' ' 138' ' ' LEU . 1.0 OUTLIER -121.9 156.32 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.592 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.9 OUTLIER -86.23 123.44 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.941 HD12 ' HB2' ' A' ' 136' ' ' PHE . 11.0 mt -117.26 122.41 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 68.31 -101.05 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 19.97 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 13.4 mm100 -140.18 160.53 39.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 6.3 m95 -86.51 145.12 26.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.941 ' HB2' HD12 ' A' ' 131' ' ' LEU . 21.8 m-85 -145.78 136.51 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.778 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.2 p-10 -88.81 150.42 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' H ' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -148.51 139.67 23.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.447 ' H ' HD13 ' A' ' 138' ' ' LEU . 17.4 t30 177.01 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 164.36 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.669 ' HG ' HD13 ' A' ' 142' ' ' LEU . 1.1 pp -68.56 -28.48 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -82.08 -3.57 54.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.44 22.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.462 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.702 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 152.78 174.75 23.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.4 Cg_endo -74.98 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -87.07 155.63 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.748 HD13 ' CZ ' ' A' ' 136' ' ' PHE . 28.2 tp -101.33 123.93 46.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.778 HD11 ' OD1' ' A' ' 137' ' ' ASN . 39.3 mt -115.02 123.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 148.06 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.473 ' O ' HG21 ' A' ' 112' ' ' ILE . 4.3 m-20 -55.15 -33.04 62.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.3 t -83.68 -24.01 31.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -82.52 -45.29 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.08 -48.0 71.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.58 -43.8 88.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.67 -36.78 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.786 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.87 -51.7 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 160' ' ' LEU . 5.0 mt -58.51 -35.0 71.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.97 92.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.654 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -61.56 -48.37 81.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.9 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.92 -36.93 83.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 7.2 mt-30 -62.41 -46.4 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -70.9 -28.59 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.41 -30.09 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.59 -99.02 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.52 112.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -174.1 73.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.9 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.3 mt -134.81 137.0 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.128 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 144.56 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.934 HG13 ' HB2' ' A' ' 99' ' ' PHE . 35.2 m -112.07 131.59 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.637 HG12 HD12 ' A' ' 94' ' ' LEU . 2.7 t -93.45 110.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -120.87 135.74 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 137.93 -152.63 21.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.718 ' O ' HD22 ' A' ' 94' ' ' LEU . 58.2 m-20 -83.8 120.98 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.832 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -110.23 132.64 21.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.832 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.59 143.8 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 20.5 p -127.07 -167.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.82 -42.42 65.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.21 -39.27 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 13.4 t70 -58.44 -35.12 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -75.75 -35.12 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.819 HD11 ' O ' ' A' ' 8' ' ' SER . 69.0 mt -60.07 -46.03 90.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.874 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -61.35 -41.72 97.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.612 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 11.3 mtt -51.32 -20.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.91 -34.36 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.806 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -145.42 58.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.1 mt -103.3 123.92 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.748 ' HE1' HD21 ' A' ' 138' ' ' LEU . 0.6 OUTLIER 156.63 -165.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 26' ' ' ASN . 11.5 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.727 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 29.4 p -115.85 173.97 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.2 -24.85 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -46.89 -38.99 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 139' ' ' ASN . 3.4 p-80 -54.07 -46.29 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 0.5 OUTLIER -66.46 -42.42 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 85' ' ' ILE . 11.7 tp -61.71 -43.02 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 3.5 m120 -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 22' ' ' HIS . 1.3 m-20 -71.16 -26.81 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 ' OG ' ' A' ' 116' ' ' SER . 4.4 tp -72.04 -47.04 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 92' ' ' TRP . 41.0 mt -77.01 -32.56 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 177' ' ' CYS . 4.5 tm0? 59.14 102.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 167.23 -53.08 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.4 tt0 88.76 64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.5 m-85 -134.5 48.51 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.803 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.69 154.76 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.9 -179.93 1.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.03 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.94 -37.95 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -59.95 -44.52 94.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.02 -44.77 83.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -59.32 -46.0 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -67.25 -41.33 85.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -63.08 -47.97 90.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.43 -46.83 76.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 39' ' ' SER . 13.0 m170 -67.26 -44.69 78.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -64.96 -35.09 80.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.58 -43.93 83.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.68 -45.06 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 tp10 -73.97 -42.37 60.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.7 tt0 -69.61 -52.27 27.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.666 ' CG ' HD12 ' A' ' 45' ' ' LEU . 6.9 mm-40 -60.77 -39.49 89.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 17.7 ttt180 -62.19 -48.97 77.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.6 ptm -72.81 -47.57 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.5 ttt180 -56.99 -48.36 78.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.7 ptm -72.22 -42.51 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.07 -48.5 78.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.4 mm-40 -80.07 -53.8 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -41.67 -22.85 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 102.18 54.66 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -42.28 -27.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.5 t 52.9 14.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 58' ' ' VAL . 6.7 t 77.26 -47.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.57 -47.58 69.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 9.6 m-20 -61.66 -33.21 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.09 -53.55 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.4 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -50.4 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -79.02 -41.4 29.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 63' ' ' TYR . 11.2 mt -40.23 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' PHE . 41.2 mm-40 -53.75 -20.88 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.7 mm-40 -67.91 161.03 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.99 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -90.07 -161.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 97.95 -0.79 59.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 3.0 m120 62.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.514 ' SD ' ' HA ' ' A' ' 39' ' ' SER . 11.6 ptm 177.54 161.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.8 t70 -110.6 172.57 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -133.82 25.69 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 p -105.21 11.68 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.23 31.54 2.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -152.55 134.58 14.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 44.0 m-85 -119.59 160.36 22.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -66.49 145.84 55.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.101 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.3 -27.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.626 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -61.6 -26.92 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 4.3 m -61.26 -38.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.821 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.39 -36.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.464 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 31.9 t -64.81 -44.92 88.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.35 -39.43 90.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.803 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.95 -35.17 66.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.929 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.54 -50.75 57.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.56 -44.96 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.1 m -73.31 -20.15 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.7 m95 -82.4 -21.52 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.53 -48.46 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.23 170.85 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.87 157.94 36.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 170' ' ' VAL . 17.0 tp -124.64 132.59 53.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.644 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -140.56 158.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.98 130.74 44.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 167' ' ' ILE . 6.0 t80 -81.92 -38.03 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.877 ' HB2' HD23 ' A' ' 98' ' ' LEU . 10.2 m120 -33.64 -52.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -15.01 106.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.25 20.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 15.8 mt-10 -71.34 -46.84 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.706 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.1 m-85 -67.2 -46.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.3 mt-30 -55.49 -46.71 76.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -63.98 -40.32 96.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.1 mt -65.45 -24.61 67.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 10.8 mtt180 130.43 62.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.706 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.2 119.58 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.9 OUTLIER -106.79 153.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.465 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.1 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.766 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.15 -18.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.8 m-20 -66.09 -10.08 37.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.84 ' HG2' HG22 ' A' ' 169' ' ' VAL . 9.2 tp10 -91.36 150.48 21.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 130' ' ' LYS . 2.0 tmt_? -88.56 -26.22 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.435 ' OG ' HD11 ' A' ' 27' ' ' LEU . 12.2 t -149.71 113.45 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.058 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.095 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.7 154.79 28.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.646 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.8 mt -127.74 144.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -126.57 147.03 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.5 t-20 -129.58 118.81 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.5 OUTLIER -114.04 107.85 16.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER 33.85 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 3.3 tm-20 74.63 -86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -52.13 132.08 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.5 p-90 -129.21 164.8 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.673 ' CD2' HD23 ' A' ' 141' ' ' LEU . 1.3 m-85 -129.11 162.38 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.523 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.13 122.01 44.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.095 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.7 t -106.51 129.33 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 153.83 46.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.692 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.9 mptt -85.06 110.76 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -95.14 120.58 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 183' ' ' LEU . . . 57.78 -96.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 13.75 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.42 148.56 50.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.692 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 0.7 OUTLIER -75.17 128.64 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.004 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.9 m-85 -128.26 136.51 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.673 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -96.9 142.17 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.748 HD21 ' HE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -144.4 146.04 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 142' ' ' LEU . 11.1 t-20 166.17 -70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.51 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.673 HD23 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.9 -23.06 64.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.68 -5.27 51.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.51 22.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.604 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 151.54 -163.14 29.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.452 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.99 97.65 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 142' ' ' LEU . 0.8 OUTLIER -84.72 125.6 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.555 ' CD2' ' CE1' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -80.34 124.58 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 137' ' ' ASN . 17.2 mt -123.3 123.86 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 147.82 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.554 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -55.41 -31.59 61.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.53 -12.86 55.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -99.57 -45.99 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.766 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.95 -48.87 69.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.71 -36.78 81.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -63.99 -49.95 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.614 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.7 mt -60.4 -34.99 74.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.22 95.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -61.51 -48.36 81.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.885 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.93 -35.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.515 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.9 mt-30 -63.66 -46.66 84.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.29 -27.62 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.31 -33.53 67.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.691 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.86 -96.44 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.691 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.29 121.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 175.58 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.885 ' CG1' HD11 ' A' ' 160' ' ' LEU . 13.5 mt -134.86 128.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.101 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -116.47 122.3 44.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.1 t -95.45 125.96 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 96' ' ' LEU . 19.1 t -86.66 113.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.644 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -116.81 144.29 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 125.92 -156.6 19.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.563 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.2 m-20 -93.77 118.62 31.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -104.11 129.4 25.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.808 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 128.93 11.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 175' ' ' PRO . 22.9 p30 -51.26 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 29' ' ' GLN . 30.4 p -161.47 178.53 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.33 -42.53 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.762 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.54 -38.21 68.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.813 ' O ' HD22 ' A' ' 183' ' ' LEU . 45.3 t0 -58.23 -34.94 70.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -39.57 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.806 HD11 ' O ' ' A' ' 8' ' ' SER . 11.9 mt -62.43 -30.47 71.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.95 -25.41 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.765 ' O ' HD13 ' A' ' 182' ' ' LEU . 82.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.709 ' HA ' HD12 ' A' ' 9' ' ' ILE . 9.6 mtt -55.46 -11.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 8' ' ' SER . 17.6 pt-20 -53.42 -38.84 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.638 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -142.66 48.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.76 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 3.1 mt -83.99 123.45 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.76 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 21.8 p90 164.31 -167.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 29' ' ' GLN . 9.7 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.689 ' H ' HD23 ' A' ' 18' ' ' LEU . 74.6 m -115.31 174.05 6.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.762 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.24 -24.22 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' HB2' HD12 ' A' ' 38' ' ' LEU . 1.1 tm0? -46.53 -25.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -42.94 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.547 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -71.3 -44.77 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 85' ' ' ILE . 27.6 tp -60.3 -45.97 91.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 1.5 m120 -60.53 -42.3 96.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -26.85 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 24' ' ' LEU . 7.5 tp -75.06 -47.4 29.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 48.9 73.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.769 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.16 -51.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.1 tt0 84.49 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.769 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.6 m-85 -138.57 53.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -158.52 142.84 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -120.87 -180.0 0.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.96 -47.58 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.0 -36.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.4 mt-10 -67.24 -49.25 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 21' ' ' GLN . 2.6 mt -58.63 -42.76 89.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.494 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -61.52 -46.06 91.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.56 85.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -62.05 -47.89 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.077 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -57.41 -47.08 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.0 m170 -68.07 -40.23 82.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' A' ' 48' ' ' GLU . 20.5 mt-30 -70.03 -34.73 73.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.077 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -65.74 -47.42 75.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -60.79 -45.18 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.0 tt0 -73.69 -46.17 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.4 tt0 -67.01 -53.48 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.728 ' HG3' HD12 ' A' ' 45' ' ' LEU . 1.1 mm-40 -59.62 -39.77 85.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.9 ttp180 -61.64 -49.12 77.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.2 ptm -73.22 -45.99 52.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.11 -50.25 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 58' ' ' VAL . 4.0 ptm -71.03 -41.55 70.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.08 -48.88 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.1 mm-40 -65.02 -56.59 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.53 -12.19 4.49 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 98.02 -22.3 41.59 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.4 p 49.71 8.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.586 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER 36.99 19.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.36 -49.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 59' ' ' THR . 31.9 mm-40 -53.43 -47.97 69.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.44 -33.76 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.71 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -71.13 -53.29 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -66.7 -27.93 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -49.39 49.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -78.69 -38.37 39.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.3 mt -45.24 -23.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 29.1 mm-40 -61.9 -30.58 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.6 mt-30 -60.57 161.63 13.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.03 159.51 41.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -108.45 -141.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . 101.51 -10.29 57.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.643 ' O ' ' O ' ' A' ' 74' ' ' MET . 8.1 m-80 38.13 55.34 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 73' ' ' ASN . 10.3 ptm 49.47 151.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 14.6 m-20 -110.65 -177.97 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.55 -22.03 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -54.58 -26.23 31.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.468 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 136.8 56.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.98 130.54 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 52.7 m-85 -104.59 159.09 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.972 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.25 146.63 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.032 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.84 -27.53 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.59 ' OE1' HG22 ' A' ' 82' ' ' ILE . 3.9 mp0 -62.21 -27.23 68.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 81' ' ' SER . 3.8 m -61.09 -40.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.979 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -61.31 -45.3 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -56.78 -45.28 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.613 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.5 m-80 -60.75 -38.34 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.36 -32.31 66.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.778 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.42 -50.91 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.72 -35.12 79.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' HE3' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -76.42 -21.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 4.6 m95 -87.63 -21.11 25.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -35.96 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.778 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -90.37 170.34 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 171' ' ' LYS . 3.6 pt-20 -133.19 152.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.92 HD11 ' CB ' ' A' ' 168' ' ' PHE . 10.6 tp -125.02 134.45 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.581 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.8 pp -136.54 159.41 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.761 HD23 ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -64.29 129.67 40.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 23.6 t80 -85.0 -43.62 13.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.657 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -35.67 -39.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 t -26.2 108.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.62 19.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.2 tt0 -72.38 -46.81 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.711 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.2 m-85 -66.9 -46.84 73.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.8 mt-30 -55.23 -46.72 76.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.84 -41.29 97.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -64.69 -24.55 67.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.8 mtt-85 130.08 63.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.711 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 119.12 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.74 154.19 40.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.98 -39.84 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -79.2 -26.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.0 m-20 -52.17 -20.35 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.504 ' CD ' HG13 ' A' ' 169' ' ' VAL . 7.2 tp10 -89.98 147.17 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -93.49 -5.58 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -163.07 113.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.172 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -121.47 158.56 28.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mt -121.97 143.37 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.566 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -127.49 139.94 52.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.287 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -131.55 124.51 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.617 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -114.13 108.01 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.03 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.8 -91.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.0 tt0 -103.43 111.06 23.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.5 t-160 96.47 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.578 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.815 ' CH2' HD13 ' A' ' 85' ' ' ILE . 47.1 p-90 -128.99 165.19 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 107.968 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.547 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.56 162.45 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.72 133.46 55.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.172 HG21 ' CE2' ' A' ' 117' ' ' PHE . 24.7 t -116.33 122.05 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -123.22 153.41 40.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 3.0 ttpt -85.48 105.3 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.624 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -90.2 122.35 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.843 ' O ' HD12 ' A' ' 183' ' ' LEU . . . 69.34 -78.88 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.78 23.76 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.497 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 17.8 mm100 -140.54 153.86 46.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.525 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.45 116.18 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.015 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.617 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.4 m-30 -112.95 135.64 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.513 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -87.72 140.29 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.8 mt -148.61 144.19 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 140' ' ' SER . 11.1 t30 165.82 -59.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 159.98 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.719 HD23 HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -73.22 -25.17 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.719 HD13 HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -89.12 -4.61 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 47.48 24.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.663 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 147.32 178.8 22.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.62 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.09 123.95 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.602 ' HG ' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -68.09 123.39 20.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 137' ' ' ASN . 15.5 mt -105.81 137.72 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.7 150.78 26.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -55.0 -40.69 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -84.12 -3.35 58.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.445 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -99.93 -49.61 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.23 70.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -66.13 -42.74 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.0 -37.03 85.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.706 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -63.65 -51.62 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.5 mt -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.95 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.714 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -61.7 -48.41 80.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.75 -35.54 81.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 8.0 mt-30 -64.89 -46.44 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.25 -25.24 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.67 -33.68 60.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.713 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.64 -97.82 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.713 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.87 108.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -173.75 77.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.9 mt -134.88 134.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.032 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -124.23 122.04 36.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -93.31 123.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.651 HG22 HD13 ' A' ' 96' ' ' LEU . 2.5 t -87.81 115.02 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.581 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -125.36 133.2 52.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 149.09 -145.8 14.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.703 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.5 m-20 -95.47 120.2 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.854 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.58 132.36 21.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.854 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -176.77 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.86 -151.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.1 pt-20 -52.93 -42.61 65.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -56.02 -41.77 75.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.36 -35.0 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.42 -39.84 62.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 5' ' ' SER . 36.1 mt -65.23 -27.12 68.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 132' ' ' GLY . 3.4 tt -56.63 -39.22 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.812 ' HB2' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.702 ' O ' HD13 ' A' ' 182' ' ' LEU . 6.1 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.785 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.87 -14.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.97 -21.69 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 182' ' ' LEU . 4.7 t -137.04 37.28 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.6 mt -90.6 139.17 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CD1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER 82.72 125.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.756 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.719 HD12 ' SG ' ' A' ' 19' ' ' CYS . 3.6 pp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' HD12 ' A' ' 18' ' ' LEU . 20.5 m -115.42 174.5 5.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 108.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.45 -24.37 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.82 -33.49 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -56.55 -48.57 77.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.77 -37.04 83.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.914 HD22 HG13 ' A' ' 85' ' ' ILE . 32.0 tp -62.71 -45.81 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.5 -44.92 92.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.66 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 2.0 t30 -70.94 -39.38 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.38 -45.43 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -76.3 -1.25 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 2.9 pt20 34.09 54.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.756 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -171.18 -32.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 30' ' ' GLY . 1.2 mt-10 77.23 -117.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 1.8 m-85 64.28 28.56 13.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.821 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -140.78 154.86 46.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -128.12 175.66 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.041 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.03 -45.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.66 -41.17 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 18.3 mt-10 -58.64 -40.53 83.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 HG21 ' A' ' 84' ' ' VAL . 2.9 mt -58.47 -45.71 88.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -59.81 -45.97 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -67.39 -42.94 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.53 -45.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -58.73 -45.63 89.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' SER . 9.9 m170 -68.37 -42.77 78.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.12 -36.71 82.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -67.7 -43.28 80.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.8 tt0 -74.29 -34.73 63.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -77.2 -50.98 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.2 tp10 -62.52 -36.19 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.585 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 28.5 ttt180 -70.73 -48.73 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.571 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.7 ptm -72.76 -49.62 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -56.18 -47.27 78.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 58' ' ' VAL . 5.8 ptm -72.92 -40.19 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -66.94 -48.28 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' CG ' ' O ' ' A' ' 51' ' ' MET . 2.4 mm-40 -63.39 -58.17 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.45 -12.41 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 97.42 -20.35 51.06 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.688 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.3 p 49.87 8.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER 37.57 19.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER 65.93 -50.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 59' ' ' THR . 7.7 mt-10 -53.24 -47.54 68.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.23 -33.79 67.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.688 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -70.53 -53.34 16.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.52 -27.78 68.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.3 -48.82 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -78.46 -42.66 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.1 mt -39.8 -27.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.2 mm-40 -53.67 -36.55 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.619 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -60.92 164.13 8.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.09 131.01 13.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.6 p -95.56 -148.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 91.54 8.66 63.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.4 m-80 63.98 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.3 ptm 174.83 172.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 17.2 t0 -110.32 -177.05 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -149.94 24.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -105.95 10.06 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.76 41.9 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -166.32 138.68 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 39.4 m-85 -116.41 158.89 22.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.846 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.6 t -67.59 139.23 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -60.23 -27.03 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.812 ' HB3' HD21 ' A' ' 45' ' ' LEU . 29.9 mm-40 -61.65 -26.12 67.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.888 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.8 m -61.2 -39.58 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.914 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -63.32 -36.98 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 96' ' ' LEU . 40.6 t -65.17 -43.79 90.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -60.77 -41.05 94.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.25 -33.76 72.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.99 -49.29 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.7 ptmt -56.95 -46.35 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 87' ' ' ASN . 14.8 m -71.74 -22.64 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.01 -20.51 41.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.33 3.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.9 OUTLIER -90.73 170.13 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.03 155.66 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.62 125.96 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.67 158.77 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.2 148.08 52.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.863 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.3 t80 -94.79 -46.58 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.72 ' HB2' HD12 ' A' ' 98' ' ' LEU . 8.4 m-20 -29.2 -54.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.666 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -10.96 102.48 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.9 tt0 -73.57 -46.85 44.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.645 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.0 m-85 -67.86 -46.19 72.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.0 mt-30 -55.1 -46.4 75.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.83 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.54 -24.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.0 ptt180 131.71 60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.645 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.82 119.28 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 1.4 m-20 -106.5 154.32 39.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.98 -36.39 2.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.53 -25.1 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.5 m-20 -60.15 -15.28 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -94.44 110.4 22.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.05 -33.14 64.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.74 114.77 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.148 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -123.68 155.24 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 96' ' ' LEU . 2.4 mt -126.33 143.14 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.495 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -127.28 146.36 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.6 OUTLIER -136.36 125.39 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.97 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 36.23 -90.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.604 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -103.85 111.87 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.9 t-160 96.25 138.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.794 ' CH2' HD13 ' A' ' 85' ' ' ILE . 45.2 p-90 -129.03 164.83 22.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.033 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.04 157.24 42.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.437 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.75 134.88 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.148 HG21 ' CE2' ' A' ' 117' ' ' PHE . 16.5 t -119.34 125.06 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.591 HH22 HD23 ' A' ' 131' ' ' LEU . 6.1 ptm180 -124.88 147.84 48.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.42 111.09 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.799 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 2.2 tm? -100.58 122.07 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.773 ' O ' HD23 ' A' ' 183' ' ' LEU . . . 69.67 -81.17 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' OE1' ' A' ' 134' ' ' GLN . 2.5 tttp -153.88 21.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 0.9 OUTLIER -135.36 159.8 40.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -96.86 119.83 36.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.81 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 1.4 m-85 -116.68 133.48 55.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -87.94 150.1 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.735 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -154.04 142.37 20.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 140' ' ' SER . 2.7 t30 169.41 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.2 t 155.36 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -73.33 -29.98 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.735 HD21 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -92.47 -5.09 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 44.47 26.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.435 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.584 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.48 -178.16 33.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 138' ' ' LEU . 18.4 Cg_endo -75.0 64.53 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.19 103.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.81 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 1.4 tp -57.84 134.2 56.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 137' ' ' ASN . 61.2 mt -113.5 148.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 156.31 17.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.551 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.6 OUTLIER -59.96 -38.97 84.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.9 t -83.51 -2.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.4 -50.8 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.618 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.1 tm? -54.0 -47.66 71.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.82 84.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -64.11 -39.25 93.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.911 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.09 -51.53 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -60.59 -34.34 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.03 87.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.619 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -65.8 -49.29 68.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.955 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.04 -35.43 81.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.1 mt-30 -64.36 -46.63 82.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -70.75 -25.69 63.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -76.23 -31.53 58.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.45 -97.36 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.52 114.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.573 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -177.35 70.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.955 ' CG1' HD11 ' A' ' 160' ' ' LEU . 18.3 mt -130.07 136.83 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -124.42 143.2 50.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 99' ' ' PHE . 25.3 m -111.45 122.92 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 94' ' ' LEU . 2.5 t -88.4 110.51 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.01 134.79 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 147.54 -149.0 21.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.67 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -91.06 119.89 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.909 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.4 OUTLIER -101.02 134.13 20.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.909 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 161.36 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.491 ' CG ' ' N ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -108.0 169.39 8.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 0.6 OUTLIER -172.2 -148.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.251 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 3.8 mm-40 -66.19 -39.17 89.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.799 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.31 -39.03 69.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.467 ' CB ' ' OD2' ' A' ' 176' ' ' ASP . 8.4 t70 -58.5 -39.96 81.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . 0.596 ' HG3' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.12 -28.1 61.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 5' ' ' SER . 85.0 mt -72.05 -29.98 64.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 132' ' ' GLY . 1.4 tm? -57.04 -47.63 80.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.871 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.484 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 ttm -62.47 -5.3 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.15 -14.12 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.724 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.07 40.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 7.5 mt -94.03 123.68 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.605 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 4.1 p90 171.25 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.3 pt? . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.703 ' H ' HD23 ' A' ' 18' ' ' LEU . 90.3 m -114.28 174.64 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.814 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.37 -23.96 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.823 ' OE1' HD23 ' A' ' 24' ' ' LEU . 7.0 tp-100 -46.45 -24.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -64.13 -55.98 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.551 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 1.4 m -60.54 -38.61 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.823 HD23 ' OE1' ' A' ' 21' ' ' GLN . 31.8 tp -60.92 -35.77 77.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.521 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 21.9 m120 -67.95 -45.16 75.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 62.1 t-20 -71.68 -31.84 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.5 -47.19 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.789 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -76.9 -1.88 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.631 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 54.2 tt0 98.68 -54.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -129.59 168.03 21.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -61.03 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-30 71.38 4.06 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -133.71 148.33 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -121.37 -179.31 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.587 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -74.98 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.82 -37.81 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 3.3 mt-10 -65.9 -42.0 90.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 ' CD2' ' A' ' 80' ' ' PHE . 5.1 tp -64.52 -43.86 92.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.488 ' OG ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.36 -45.55 87.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -68.3 -38.37 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.63 -47.79 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.02 -47.07 87.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 19.8 m170 -64.57 -47.78 77.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -61.86 -34.49 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -65.52 -44.61 86.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 8.1 t70 -60.43 -44.19 96.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 51' ' ' MET . 74.2 mt-10 -73.29 -47.07 45.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.9 tt0 -68.97 -51.7 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.2 tt0 -59.78 -39.59 85.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 ttt180 -62.09 -48.98 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.3 ptm -72.36 -44.42 62.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 51' ' ' MET . 3.1 tpp180 -60.66 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.2 ptm -72.4 -41.14 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.01 -48.84 72.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -77.65 -53.11 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.75 -20.31 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 95.97 58.73 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.912 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.6 p -50.92 -22.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.9 t 51.65 15.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.4 t 79.53 -43.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.77 -47.34 70.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.903 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.912 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.45 -53.61 22.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.1 mtp180 -66.9 -27.32 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -49.7 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.45 -44.88 23.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.6 mt -36.44 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 14.6 mm-40 -51.01 -20.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.585 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -73.0 158.82 86.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.2 Cg_endo -75.01 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -60.3 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' PRO . . . -59.91 -24.39 60.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.846 ' O ' ' HB3' ' A' ' 74' ' ' MET . 2.1 m120 -50.11 -62.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.846 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 20.3 ptm 123.64 165.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.598 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 19.2 t0 -110.61 -176.25 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -143.61 27.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -114.93 12.56 16.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.489 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 105.84 42.99 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -164.42 129.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.743 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.2 m-85 -104.44 156.98 17.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.787 ' O ' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -67.42 139.66 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -56.16 -27.39 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.565 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 31.2 mm-40 -62.09 -24.97 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.048 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.5 m -60.52 -42.89 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.837 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.58 -44.46 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 48.1 t -56.75 -45.26 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.882 HD21 HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -61.47 -38.05 85.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -73.06 -36.9 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 96' ' ' LEU . 4.1 mt -65.46 -50.39 65.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.4 m -71.54 -19.78 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.789 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -83.92 -20.59 32.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.059 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.22 -38.99 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.974 HD12 HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -90.53 170.39 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 171' ' ' LYS . 7.6 pt-20 -125.53 149.8 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.59 125.53 44.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.653 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.4 pp -136.15 158.25 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.43 148.34 51.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.967 ' HB2' HG13 ' A' ' 169' ' ' VAL . 26.5 t80 -96.53 -43.49 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.707 ' OD1' ' CE2' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -29.58 -49.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.0 t -17.19 103.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.04 -16.54 20.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 18.5 mt-10 -71.75 -47.14 55.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.72 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.8 m-85 -67.42 -46.98 71.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.7 mt-30 -55.33 -47.13 76.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 6.7 mtp180 -63.1 -41.59 99.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.5 mt -64.73 -24.53 67.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 1.2 ptt180 129.73 63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.72 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.97 122.62 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.95 155.64 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.562 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.03 -37.08 2.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.727 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -82.18 -18.78 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 5.8 m-20 -75.5 64.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HG2' ' HB ' ' A' ' 169' ' ' VAL . 0.8 OUTLIER -166.2 169.4 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.612 ' HG3' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -84.13 -38.4 20.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.612 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 1.7 t -157.1 138.13 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.131 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -117.24 154.52 31.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.939 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -122.97 145.06 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -127.36 141.4 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.99 123.46 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.587 ' CD1' ' HE3' ' A' ' 122' ' ' LYS . 1.4 t80 -113.44 109.17 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.587 ' HE3' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER 59.34 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -113.93 -72.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 140.44 54.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -128.85 164.96 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.671 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.5 m-85 -128.82 161.74 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.601 HG23 HD13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -116.08 122.65 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.131 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.6 t -105.46 127.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.26 140.04 52.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.684 ' CD ' ' CE3' ' A' ' 135' ' ' TRP . 6.6 mmtp -84.43 113.65 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.004 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.6 OUTLIER -107.08 122.21 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' HD23 ' A' ' 183' ' ' LEU . . . 63.85 -107.22 1.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 2.84 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 6.8 mm100 -117.73 152.54 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.684 ' CE3' ' CD ' ' A' ' 130' ' ' LYS . 1.8 m95 -97.97 126.44 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 4.1 m-85 -122.36 136.79 54.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -88.48 146.91 24.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.584 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -138.5 131.7 30.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.628 ' HB3' HD11 ' A' ' 142' ' ' LEU . 3.3 t-20 179.84 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.9 t 178.31 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -68.67 -19.25 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.691 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -94.1 -3.3 51.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 45.93 26.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 147.57 -169.0 28.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.99 82.01 2.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.66 117.23 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -68.23 123.51 20.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 153' ' ' LEU . 76.8 mt -124.03 113.86 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.66 148.24 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.436 ' HA ' ' NE1' ' A' ' 135' ' ' TRP . 1.6 m-20 -54.96 -32.49 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.2 t -83.64 -20.51 33.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.18 -42.72 13.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.727 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.23 -48.03 71.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.34 -45.51 79.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.914 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -60.53 -48.02 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -61.58 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.32 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.616 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -67.11 -48.28 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.939 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -65.37 -35.22 80.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 167' ' ' ILE . 4.1 mt-30 -63.23 -46.94 84.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.48 -26.44 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -75.9 -29.26 58.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.723 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.11 -100.2 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.723 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 158.94 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 174.86 78.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.939 ' CG1' HD11 ' A' ' 160' ' ' LEU . 6.1 mt -135.32 132.95 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.075 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.09 147.3 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.967 HG13 ' HB2' ' A' ' 99' ' ' PHE . 26.3 m -124.28 120.56 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.974 HG23 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.61 110.18 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -111.51 144.8 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 138.32 -145.92 17.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.915 ' O ' HD22 ' A' ' 94' ' ' LEU . 14.4 t0 -103.42 120.6 41.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -96.4 132.81 25.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.768 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 175' ' ' PRO . 4.8 m-20 -43.36 166.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.504 ' CB ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 p -162.37 170.08 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.602 ' OE2' ' CE1' ' A' ' 10' ' ' PHE . 2.0 pt-20 -52.97 -42.86 65.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 1.004 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -59.54 -39.26 83.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.441 ' O ' HD12 ' A' ' 183' ' ' LEU . 4.2 t70 -58.13 -34.79 70.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.69 -43.93 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 5' ' ' SER . 45.7 mt -54.7 -38.51 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -57.27 -33.64 67.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.981 ' N ' HD13 ' A' ' 183' ' ' LEU . 5.0 tt0 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 182' ' ' LEU . 3.8 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.757 ' HA ' HD12 ' A' ' 9' ' ' ILE . 28.2 mtp -67.22 -3.36 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.99 -11.94 60.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HD11 ' A' ' 182' ' ' LEU . 4.9 t -154.19 37.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.6 mt -87.53 123.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 158.31 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 5.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD11 ' SG ' ' A' ' 19' ' ' CYS . 1.2 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 18' ' ' LEU . 1.6 p -116.32 173.88 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -60.94 -24.35 65.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.676 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -46.54 -29.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 1.3 t-80 -57.99 -53.89 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -63.11 -37.71 88.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 89' ' ' LEU . 15.0 tp -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.5 m120 -60.5 -42.2 95.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -74.72 -35.72 62.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' CYS . 1.8 tp -68.08 -45.66 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 92' ' ' TRP . 38.6 mt -74.86 -1.52 22.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER 77.51 -47.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.641 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -118.6 136.15 11.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -53.56 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.295 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 69.5 34.06 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.77 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -158.8 154.15 25.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.58 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -131.55 -177.33 0.67 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -55.91 -37.65 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 4.7 mt-10 -64.74 -42.26 95.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 80' ' ' PHE . 1.6 tp -64.34 -42.47 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.487 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.74 -45.77 88.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.77 -45.56 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.942 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.74 -47.28 87.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 16.2 m170 -68.51 -42.24 78.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.633 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.35 -47.06 85.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.818 HD22 ' OD1' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -62.21 -38.53 89.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 7.1 t70 -60.19 -44.9 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' MET . 18.1 mt-10 -73.64 -42.43 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -72.46 -52.35 16.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.662 ' HB3' HD12 ' A' ' 45' ' ' LEU . 1.1 pp20? -59.47 -39.13 82.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.5 ttm180 -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.3 mtm -71.38 -51.44 24.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.81 -45.97 81.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 3.5 ptm -72.42 -42.41 65.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -68.13 -48.66 64.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.552 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.2 pp20? -74.1 -34.41 63.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -72.56 -8.16 70.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 95.08 -31.6 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.947 HG23 ' HB3' ' A' ' 62' ' ' ASP . 3.0 p 48.67 11.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.09 22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER 63.89 -50.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 59' ' ' THR . 11.6 mt-10 -53.49 -47.79 69.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.947 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.85 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.91 -53.73 41.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.2 mmt85 -67.61 -26.92 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -50.47 48.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.25 -41.0 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.644 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.2 mt -39.93 -27.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' N ' ' C ' ' A' ' 66' ' ' PHE . 22.3 mm-40 -54.17 -33.91 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.508 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -64.56 162.07 38.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.06 152.37 40.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -115.13 -101.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 43.29 43.24 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' C ' ' HG2' ' A' ' 74' ' ' MET . 2.8 m120 64.05 -68.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.639 ' SD ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 ptm 172.75 -82.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 19.3 p-10 -83.05 -175.62 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -167.36 -31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 t -141.37 -66.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.65 59.42 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -168.92 161.51 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.757 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.3 m-85 -120.0 159.45 24.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.89 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.39 149.34 50.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.116 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -64.15 -27.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.808 ' HB3' HD21 ' A' ' 45' ' ' LEU . 40.9 mm-40 -61.62 -25.87 67.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.9 m -60.84 -40.7 86.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.819 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -62.73 -44.34 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 6.4 t -55.93 -45.38 78.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.969 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.46 -41.07 96.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.24 -36.59 69.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.4 mt -67.43 -49.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -57.04 -46.71 82.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -72.97 -20.01 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.72 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -82.2 -20.97 36.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.22 -42.48 1.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.41 166.51 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.9 pt-20 -122.35 156.38 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.89 125.87 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.511 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -133.1 159.44 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.848 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.63 146.28 54.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.911 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.8 t80 -91.75 -51.08 5.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.694 ' O ' ' C ' ' A' ' 101' ' ' SER . 32.2 m120 -23.85 -65.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.732 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 2.2 t -2.56 104.85 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -14.53 21.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.0 mt-10 -72.26 -46.34 56.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.658 ' O ' HD13 ' A' ' 109' ' ' ILE . 2.1 m-85 -70.12 -46.84 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 101' ' ' SER . 83.8 mm-40 -53.87 -47.5 70.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -35.14 70.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -62.5 -25.29 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 4.3 ptt180 130.68 53.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.5 mp -126.92 120.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.41 154.65 39.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.744 ' CB ' HD12 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.97 -33.19 4.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.605 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.76 -23.44 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -68.38 -9.29 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.611 ' HG3' HG12 ' A' ' 169' ' ' VAL . 64.0 mm-40 -87.81 113.07 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 116' ' ' SER . 0.2 OUTLIER -60.39 -19.95 57.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -156.77 112.0 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.122 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.33 157.61 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 82' ' ' ILE . 6.2 mt -128.22 140.49 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -122.01 146.72 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.588 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -129.37 121.51 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -113.95 107.79 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER 32.96 86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 77.9 -84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -54.83 133.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -129.37 165.37 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.49 161.44 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.14 128.05 55.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.122 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.2 t -114.3 121.19 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.495 ' NH2' ' CD2' ' A' ' 138' ' ' LEU . 16.2 ptt180 -120.76 152.42 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -94.94 126.56 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.97 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -115.59 121.37 42.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.05 -89.87 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.39 22.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.496 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 8.7 mm100 -132.63 159.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 6.8 m95 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 5.5 m-85 -131.75 134.24 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.556 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -90.85 145.5 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.495 ' CD2' ' NH2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -143.07 139.19 30.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.569 ' H ' HD21 ' A' ' 142' ' ' LEU . 10.9 t30 172.08 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.422 ' OG ' ' ND2' ' A' ' 139' ' ' ASN . 20.1 p 172.19 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -69.08 -22.26 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.81 -3.62 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.29 26.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.351 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.601 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.47 -165.11 27.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 93.87 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.88 112.3 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -67.36 123.22 19.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.623 HG22 ' HB2' ' A' ' 153' ' ' LEU . 43.2 mt -117.75 116.01 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.39 146.02 36.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.52 ' O ' HG21 ' A' ' 112' ' ' ILE . 3.9 m-20 -55.06 -31.69 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.74 -23.03 31.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -85.02 -45.73 11.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HB2' HG22 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -54.0 -48.04 70.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -65.69 -43.85 87.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.31 -36.72 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.78 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.52 -51.56 59.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.744 HD12 ' CB ' ' A' ' 111' ' ' PRO . 10.4 mt -58.28 -34.89 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.41 87.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -59.9 -48.5 81.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.92 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.62 -37.13 82.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -61.51 -46.63 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -70.97 -29.01 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.76 -28.96 62.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.86 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.699 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.27 108.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.4 OUTLIER -166.37 69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.995 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.92 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.0 mt -134.92 136.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.116 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 141.71 51.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.911 HG13 ' HB2' ' A' ' 99' ' ' PHE . 34.0 m -108.87 124.57 65.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.568 HG12 HD12 ' A' ' 94' ' ' LEU . 3.8 t -86.96 110.24 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -115.05 141.23 48.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 135.03 -151.98 20.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -94.7 118.8 32.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -102.19 132.28 21.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.99 -168.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -135.43 159.13 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.51 -171.77 3.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 2.7 mm-40 -52.67 -37.98 59.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.97 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -55.6 -33.61 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.408 ' HA ' HD23 ' A' ' 183' ' ' LEU . 7.9 t70 -58.58 -40.72 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -80.02 -25.21 40.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 179' ' ' ALA . 86.2 mt -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.6 OUTLIER -62.13 -44.94 95.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 182' ' ' LEU . 54.3 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.781 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.9 mtt -53.39 -9.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 5' ' ' SER . 16.2 pt-20 -52.9 -47.74 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.643 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -130.49 54.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.054 HD13 HD21 ' A' ' 131' ' ' LEU . 10.9 mt -103.21 123.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.714 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 166.24 -139.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.611 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.942 ' N ' HD12 ' A' ' 18' ' ' LEU . 83.9 m -116.01 173.61 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.38 -25.5 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.677 ' HB2' HD22 ' A' ' 38' ' ' LEU . 3.1 tt0 -47.75 -33.55 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 t60 -54.69 -51.23 66.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 m -65.68 -37.33 86.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD22 HG13 ' A' ' 85' ' ' ILE . 34.8 tp -62.39 -45.68 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' CB ' ' NE2' ' A' ' 11' ' ' HIS . 30.9 m120 -60.02 -43.84 94.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.592 ' OD1' ' CG ' ' A' ' 11' ' ' HIS . 59.2 m-80 -71.7 -38.43 70.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.852 HD12 ' CD ' ' A' ' 129' ' ' ARG . 3.8 tp -65.39 -43.45 90.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.82 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.2 mp -74.81 -13.29 60.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 29' ' ' GLN . 1.2 tm0? 67.59 100.91 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . 118.92 -88.05 0.43 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER 156.45 -94.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 52.1 41.69 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.681 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.75 143.73 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.041 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -119.02 174.08 3.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.604 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.01 -46.09 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -55.96 -41.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.8 mt-10 -59.95 -41.61 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 80' ' ' PHE . 2.5 tp -59.93 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -58.2 -46.05 86.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -68.72 -48.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.996 ' HA ' HD12 ' A' ' 45' ' ' LEU . . . -58.03 -41.52 83.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' SER . 16.4 m170 -68.96 -41.66 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -70.98 -47.14 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.81 -36.03 82.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 19.9 m-20 -65.52 -44.82 85.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -47.31 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -63.65 -46.24 86.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -65.39 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.5 ttp180 -71.31 -47.48 56.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.536 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 26.9 ptm -71.98 -48.65 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -58.1 -46.67 85.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.562 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.6 ptm -72.54 -39.03 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.45 -48.65 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -71.08 -30.61 66.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.19 -3.95 88.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.11 -32.05 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.743 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.5 p 49.73 8.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.3 t 37.31 19.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.99 -51.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.044 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 9.1 mt-10 -53.2 -47.96 68.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 2.6 m-20 -56.86 -33.08 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.743 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.79 -53.41 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.08 -30.18 70.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.34 -50.29 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -78.99 -28.23 43.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 63' ' ' TYR . 8.5 mt -55.12 -9.74 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 66' ' ' PHE . 60.3 mm-40 -89.51 -1.84 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.633 ' HG2' HD23 ' A' ' 98' ' ' LEU . 8.0 mt-30 -88.53 -49.36 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.06 -171.77 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -37.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' MET . . . -156.06 37.84 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 81' ' ' SER . 82.7 m-20 60.07 -85.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.477 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 19.9 ptm -172.83 157.09 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.47 178.69 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.16 18.14 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -96.98 -0.35 47.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.504 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 127.49 40.87 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.7 128.48 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.684 ' CD2' HD23 ' A' ' 38' ' ' LEU . 29.4 m-85 -110.07 158.57 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.4 OUTLIER -67.78 139.73 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.162 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.78 -27.41 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.555 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -61.88 -25.67 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.995 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.88 -39.11 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.868 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.3 -44.12 94.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 11.3 t -56.1 -45.57 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.817 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -64.37 -38.28 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.681 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.63 -35.5 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.876 HD13 ' CD1' ' A' ' 94' ' ' LEU . 2.0 mt -67.81 -50.11 58.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.29 -45.19 84.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 87' ' ' ASN . 12.0 m -72.29 -22.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.82 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.8 -20.44 39.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.26 -38.09 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.55 169.73 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.5 pt-20 -126.93 153.36 45.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.678 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.5 125.78 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.61 158.85 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.24 133.98 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 40.1 t80 -86.79 -44.02 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.4 OUTLIER -31.71 -48.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.634 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.4 t -16.63 104.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.41 14.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.6 mt-10 -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.657 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.5 m-85 -68.13 -46.52 70.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -55.54 -47.11 76.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -65.1 -40.05 94.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.2 -24.94 67.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.9 OUTLIER 129.85 60.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.657 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.85 118.47 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.604 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.08 154.35 40.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.0 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.781 HG22 HD23 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -77.36 -19.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.604 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -64.39 -16.89 63.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.605 ' HG3' HG22 ' A' ' 169' ' ' VAL . 4.0 mm-40 -89.39 -178.14 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -112.78 -30.8 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.35 131.48 24.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.029 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -131.71 151.95 51.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.782 HD12 HD11 ' A' ' 82' ' ' ILE . 2.1 mt -124.62 142.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 144.56 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -134.93 125.53 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.66 108.33 16.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 36.28 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -103.61 112.06 24.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 5.9 t-160 95.25 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.842 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.6 p-90 -128.86 165.22 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -128.49 161.48 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -114.25 140.09 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.379 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.029 HG21 ' CE2' ' A' ' 117' ' ' PHE . 20.6 t -125.74 128.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.852 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.93 150.23 51.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.599 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -73.17 111.76 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 9' ' ' ILE . 1.2 tp -108.27 121.94 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.474 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.76 -100.26 0.74 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 14.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 134' ' ' GLN . 1.7 mm100 -141.28 160.47 40.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 2.6 m95 -84.63 136.49 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.634 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 -132.87 140.03 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.673 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -91.53 149.65 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -144.24 134.53 24.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.607 ' H ' HD21 ' A' ' 142' ' ' LEU . 25.9 t30 174.81 -72.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.1 t 174.54 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.779 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.47 -23.84 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.779 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.37 -2.85 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.05 27.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.43 -168.05 26.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -54.34 146.05 16.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.19 123.45 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 137' ' ' ASN . 34.0 mt -121.2 125.09 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 151.33 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m-20 -55.85 -34.81 65.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.57 -15.98 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -90.52 -43.22 10.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.781 HD23 HG22 ' A' ' 112' ' ' ILE . 24.0 tp -54.04 -48.43 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.75 -44.43 85.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.99 -35.47 78.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.792 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.82 -48.85 70.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.834 HD12 ' HB3' ' A' ' 111' ' ' PRO . 7.1 mt -60.74 -35.07 75.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.77 88.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.658 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -59.94 -48.43 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.977 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.64 -35.13 79.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -64.07 -46.88 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.33 -26.67 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.54 -33.67 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.5 -96.6 0.1 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.714 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.47 111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -175.27 76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.977 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.5 mt -134.73 132.33 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.162 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -124.05 117.91 25.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 114' ' ' GLU . 0.9 OUTLIER -88.24 123.13 40.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.74 120.71 36.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.36 133.8 51.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 142.52 -157.46 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.931 ' O ' HD22 ' A' ' 94' ' ' LEU . 2.9 m-20 -86.96 119.51 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.834 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.24 132.42 21.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.834 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.95 -179.53 5.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.23 143.8 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 -166.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.64 -37.8 59.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.96 -38.12 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.32 -34.91 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -75.52 -39.89 57.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.643 HD11 ' O ' ' A' ' 8' ' ' SER . 16.6 mt -61.75 -30.83 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.584 HD22 ' O ' ' A' ' 183' ' ' LEU . 0.8 OUTLIER -56.62 -45.46 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.441 ' HB2' HD13 ' A' ' 183' ' ' LEU . 2.9 mt-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.519 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.799 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -55.4 -9.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 5' ' ' SER . 5.0 mm-40 -64.89 -10.1 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -167.16 41.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 6' ' ' MET . 13.9 mt -87.14 123.61 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 156.89 -162.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.531 ' HB2' ' CG ' ' A' ' 26' ' ' ASN . 4.5 t60 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.842 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 4.7 p -115.66 155.42 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.728 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.98 -24.54 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.917 ' HB2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.7 -37.22 8.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -54.9 -56.88 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.45 -33.83 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 85' ' ' ILE . 9.8 tp -67.52 -38.67 84.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLN . 24.1 m-20 -61.45 -44.98 96.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' CG ' ' HB2' ' A' ' 11' ' ' HIS . 62.0 t30 -63.59 -44.07 95.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 24' ' ' LEU . 1.4 tp -63.04 -39.45 94.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.2 -32.75 70.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 27.6 tt0 150.14 -65.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -142.11 -178.13 17.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 4.7 tt0 -76.4 97.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -132.4 38.18 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' HB3' ' HG3' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -159.29 154.57 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.63 170.37 5.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.552 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.0 Cg_endo -75.04 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.84 -37.1 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.7 mt-10 -60.18 -44.08 95.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 21' ' ' GLN . 4.3 mt -57.25 -42.12 80.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -62.98 -45.74 90.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.99 -35.43 76.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -70.95 -47.64 61.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.067 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.25 -47.34 75.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.1 m170 -68.01 -38.09 82.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 42.7 mt-30 -71.96 -34.7 69.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.067 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -68.4 -46.64 69.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.4 t0 -61.0 -44.88 96.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' MET . 14.3 tt0 -74.01 -46.43 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -66.3 -53.67 33.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 45' ' ' LEU . 3.9 mm-40 -59.69 -41.22 90.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.8 ttp180 -60.3 -49.14 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.577 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.1 ptm -73.11 -39.79 65.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -61.24 -51.06 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.694 ' HE2' HG21 ' A' ' 58' ' ' VAL . 9.4 ptm -72.31 -37.38 68.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -69.62 -48.51 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -71.67 -32.11 67.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.34 -5.68 89.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.19 -27.53 11.38 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.719 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 p 48.48 10.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.622 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.35 20.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.719 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 63.43 -50.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -53.13 -47.8 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.26 -33.22 65.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.666 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.99 -53.34 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -28.49 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -70.13 -48.95 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.56 -36.3 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.8 mt -46.29 -22.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 66' ' ' PHE . 27.0 mm-40 -61.47 -31.02 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.1 mt-30 -58.86 161.79 8.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.04 131.74 14.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.2 p -91.14 -152.74 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 98.22 -0.7 58.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 87.4 m-20 62.98 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.665 ' CE ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 ppp? -178.62 158.04 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.472 ' O ' ' SD ' ' A' ' 74' ' ' MET . 36.9 t0 -110.93 164.82 12.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.25 -1.36 12.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 p -75.23 -8.33 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . 121.15 42.28 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -152.49 134.22 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.665 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 77.7 m-85 -119.45 160.36 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.964 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.26 139.75 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.19 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -63.86 -26.85 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.32 -24.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' SER . 8.0 m -61.32 -37.59 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.867 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -68.18 -37.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 22.8 t -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 4.0 m-80 -65.34 -40.33 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -71.03 -35.05 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.962 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.78 -50.59 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.58 -43.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.0 m -75.65 -20.13 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -84.98 -21.15 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.66 -52.62 0.75 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.039 ' H ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -89.59 171.1 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 159.76 32.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.222 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.59 125.6 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.631 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -132.6 158.95 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.86 138.83 58.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' O ' ' C ' ' A' ' 100' ' ' ASN . 25.8 t80 -90.07 -47.09 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.656 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -27.65 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -21.79 106.73 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.02 -14.88 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.03 -46.89 55.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.64 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.7 m-85 -68.02 -46.79 70.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -54.98 -47.0 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -64.63 -40.97 96.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -63.27 -25.08 68.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER 129.76 64.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.64 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.9 117.48 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.478 ' CB ' ' CG ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -107.77 153.58 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.88 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.01 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.86 -18.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.478 ' CG ' ' CB ' ' A' ' 110' ' ' ASP . 7.8 m-20 -59.98 -15.05 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 2.2 tp10 -94.95 -176.93 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -122.5 -11.14 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.47 114.39 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.742 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -113.99 158.24 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.671 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -128.64 133.48 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 24.2 m -120.91 147.64 45.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.9 OUTLIER -129.34 118.0 21.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -113.93 108.11 16.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 36.83 87.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 2.3 mp0 71.85 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -53.76 133.79 42.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.823 ' CH2' HD13 ' A' ' 85' ' ' ILE . 35.1 p-90 -129.18 164.46 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' HD22 ' A' ' 141' ' ' LEU . 32.7 m-85 -130.28 162.36 29.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.1 133.7 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 117' ' ' PHE . 5.8 t -113.5 127.45 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.534 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 1.8 ttp85 -123.56 157.35 33.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 17.1 pttt -85.44 128.93 34.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.802 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -111.44 92.52 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.618 ' HA2' HD13 ' A' ' 183' ' ' LEU . . . 69.5 -82.97 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.99 19.73 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CB ' HD22 ' A' ' 147' ' ' LEU . 25.8 mm100 -141.24 131.66 25.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.673 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -82.95 131.75 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.006 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.972 ' HB3' HD23 ' A' ' 147' ' ' LEU . 6.2 p90 -135.17 138.04 43.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.448 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -73.98 147.4 43.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.743 HD23 ' CE2' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -142.37 137.77 30.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.512 ' H ' HD13 ' A' ' 138' ' ' LEU . 1.2 t30 169.34 -74.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.8 OUTLIER 159.83 31.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.699 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -103.85 -28.38 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.877 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -103.05 1.67 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.47 21.36 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.854 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -179.48 158.73 22.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.448 ' HB2' ' HE3' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.96 88.74 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.71 115.5 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 136' ' ' PHE . 34.6 mt -68.38 131.89 46.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 135' ' ' TRP . 87.1 mt -106.48 113.92 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.25 144.1 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 1.5 m-20 -55.21 -31.89 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.63 -16.75 43.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -90.39 -42.63 10.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.647 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -54.18 -48.32 71.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.95 -45.93 79.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.55 -35.63 78.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.844 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -66.23 -48.6 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.88 HD12 ' HB3' ' A' ' 111' ' ' PRO . 9.8 mt -59.44 -36.51 76.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.69 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.622 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -59.84 -48.56 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -67.76 -38.58 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.4 mt-30 -62.27 -45.8 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 159' ' ' GLN . 5.8 pt20 -71.09 -28.37 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.42 -29.01 61.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.89 -98.56 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 117.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 177.73 73.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.903 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -135.15 138.31 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.19 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 137.43 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.61 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -106.24 127.17 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 89' ' ' LEU . 4.6 t -89.56 119.88 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.631 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.25 142.78 51.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.545 ' O ' ' NH2' ' A' ' 115' ' ' ARG . . . 131.57 -159.2 23.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.4 t70 -89.59 118.6 29.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -105.11 133.81 19.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.77 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -124.83 160.43 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.33 -170.5 3.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 0.6 OUTLIER -62.79 -42.54 99.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.59 80.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.71 -35.03 72.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -71.67 -43.41 66.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 8' ' ' SER . 29.4 mt -60.47 -33.9 73.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.1 OUTLIER -56.97 -48.15 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.662 ' HG3' HD12 ' A' ' 183' ' ' LEU . 27.9 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.487 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.739 ' HG3' HD12 ' A' ' 9' ' ' ILE . 8.1 mtt -52.57 -16.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.13 -25.88 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -157.81 52.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.739 HD12 ' HG3' ' A' ' 6' ' ' MET . 6.3 mt -90.03 123.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 165.1 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.55 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 9.1 t-160 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.9 pp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' N ' HD12 ' A' ' 18' ' ' LEU . 26.6 p -115.49 173.87 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.751 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.66 -24.59 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -46.82 -34.16 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 23' ' ' CYS . 4.6 p-80 -61.98 -46.54 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.11 -38.97 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD22 HG13 ' A' ' 85' ' ' ILE . 25.9 tp -60.21 -46.37 89.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 21' ' ' GLN . 5.6 m-20 -61.19 -41.81 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 11' ' ' HIS . 79.5 m-20 -71.93 -25.61 61.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.16 -47.67 27.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 21.9 mt -77.56 -20.43 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 29' ' ' GLN . 3.5 tt0 66.63 72.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 159.12 119.64 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -74.63 82.24 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.3 m-85 -129.93 45.05 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.901 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -159.0 153.0 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -129.6 -179.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.628 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.0 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -35.92 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 5.9 mt-10 -59.4 -49.67 76.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 84' ' ' VAL . 9.0 mt -57.54 -42.19 82.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 14.7 t -60.82 -45.56 93.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -33.17 71.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.75 -48.51 57.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.915 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -57.01 -47.98 79.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.1 m170 -60.68 -48.16 83.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 16.1 mt-30 -65.06 -34.27 78.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.648 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.06 -48.42 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.03 -39.77 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 51' ' ' MET . 13.1 mt-10 -70.62 -47.75 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -73.49 -48.83 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' ' CZ ' ' A' ' 66' ' ' PHE . 20.0 tt0 -59.43 -35.88 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 14.6 ttt180 -71.19 -46.78 60.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 15.9 mtm -71.47 -51.47 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 ptm -72.9 -41.2 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.86 -48.82 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -78.11 -55.67 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -42.06 -22.51 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 97.19 58.85 1.0 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.916 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.5 p -50.7 -21.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.5 t 50.87 15.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.6 t 79.93 -43.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.43 -47.09 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.9 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -62.32 -33.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.916 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.37 -53.33 30.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -67.05 -27.47 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -50.03 44.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.65 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -78.91 -44.19 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 63' ' ' TYR . 10.0 mt -35.46 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 26.1 mm-40 -49.01 -22.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.551 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.2 mt-30 -75.33 161.47 76.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -138.32 -131.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 82.28 33.84 24.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 76.8 m-20 64.37 -74.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -165.22 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.658 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 38.9 p-10 -109.59 157.91 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -136.34 8.58 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.2 -36.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.658 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -67.44 159.42 29.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 63.8 m-85 -120.28 160.65 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 1.01 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.7 p -66.47 139.79 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.132 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -58.56 -26.59 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.623 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 1.1 mp0 -60.98 -27.8 68.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 81' ' ' SER . 8.4 m -61.39 -36.39 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.874 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -67.16 -42.67 88.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.0 t -58.13 -44.85 88.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.697 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.0 OUTLIER -63.5 -41.48 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.89 -37.13 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.29 -49.34 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -56.51 -44.64 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 87' ' ' ASN . 16.2 m -74.82 -20.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.643 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -81.35 -21.06 39.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.7 -45.0 1.15 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.869 HD12 HG12 ' A' ' 170' ' ' VAL . 1.6 pt? -90.47 166.99 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.472 ' HG2' ' HG3' ' A' ' 171' ' ' LYS . 18.5 pm0 -122.34 155.63 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.4 126.32 45.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.9 pp -136.65 159.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.884 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.64 135.19 55.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' O ' ' C ' ' A' ' 100' ' ' ASN . 13.9 t80 -87.32 -45.19 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.72 ' ND2' HD11 ' A' ' 98' ' ' LEU . 10.3 m-20 -27.88 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 2.0 t -23.38 107.07 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.49 20.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 12.9 mt-10 -68.93 -47.01 66.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.676 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.18 -46.82 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.44 -46.47 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -66.54 -38.46 87.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.744 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.34 -24.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt-85 131.38 60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.676 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.7 117.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -107.51 153.94 41.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.815 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.96 -40.58 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.621 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -80.7 -19.12 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 7.4 m-20 -63.36 -12.82 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.3 tp10 -96.35 175.25 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.663 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.2 OUTLIER -115.11 -22.13 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.76 114.38 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -118.02 141.75 48.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -117.92 135.8 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 167' ' ' ILE . 0.8 OUTLIER -126.91 147.26 50.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -131.46 126.53 35.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.89 108.1 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.98 -89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.5 tt0 -108.08 112.75 25.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.0 t-160 97.0 141.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 39.9 p-90 -128.96 164.88 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.685 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -128.85 152.82 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.626 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -107.88 126.72 53.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.588 HG22 ' ND2' ' A' ' 137' ' ' ASN . 8.9 t -107.78 121.56 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.34 151.53 35.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -80.18 123.62 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.674 HD22 ' CE2' ' A' ' 136' ' ' PHE . 1.3 tt -115.75 122.11 44.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.76 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 51.71 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 15.04 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -135.31 137.6 42.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.621 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 5.7 m95 -73.0 124.8 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.674 ' CE2' HD22 ' A' ' 131' ' ' LEU . 3.7 m-85 -115.41 138.48 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.588 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER -94.07 144.09 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.542 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -140.94 127.54 20.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 126' ' ' PHE . 10.0 t-20 175.68 -67.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.1 p 165.06 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.52 -19.31 64.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.01 -2.97 55.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.19 24.23 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.95 -176.18 25.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.44 4.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -46.78 158.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -102.29 124.01 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 153' ' ' LEU . 41.7 mt -114.39 112.78 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.28 149.71 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.537 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -55.02 -33.56 62.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.1 t -83.92 -17.48 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.467 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -85.16 -44.83 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.654 ' O ' HD22 ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.27 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.32 -42.42 88.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.04 -40.19 94.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.87 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -61.75 -52.08 65.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.991 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.66 -32.43 70.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 162' ' ' GLN . . . -69.89 -34.52 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.628 ' NE2' HD21 ' A' ' 155' ' ' LEU . 1.2 mm-40 -68.91 -50.53 48.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 1.121 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -67.86 -32.14 72.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 1.026 ' N ' HD13 ' A' ' 160' ' ' LEU . 1.9 mt-30 -63.62 -46.57 85.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 158' ' ' ALA . 1.7 mp0 -71.43 -30.28 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 2.1 mm-40 -70.0 -39.48 75.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.633 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.73 -96.22 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.06 130.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.703 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.1 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 1.121 HD11 HD11 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -112.19 139.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -124.42 119.52 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -86.07 122.41 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 94' ' ' LEU . 3.2 t -90.74 111.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 95' ' ' GLU . 4.5 ptpt -117.8 144.92 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 128.58 -150.08 18.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.59 ' O ' HD22 ' A' ' 94' ' ' LEU . 13.0 t0 -97.15 119.04 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.743 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -111.86 127.29 27.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.743 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.97 119.97 5.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -45.31 165.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 3.9 t -127.02 169.89 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.474 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.1 mt-10 -52.91 -42.48 65.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.412 ' HA ' HD23 ' A' ' 183' ' ' LEU . 12.9 t70 -58.28 -34.71 70.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.29 -37.99 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.85 -30.34 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.76 HD22 ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.95 -46.41 82.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 9' ' ' ILE . 31.6 mtp -52.93 -18.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.7 -34.31 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.591 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.98 58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.9 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.8 mt -96.13 122.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.9 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 156.56 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.635 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 3.5 t-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.3 pp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.643 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 p -116.33 174.09 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -56.42 -24.93 48.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.929 ' OE1' HD23 ' A' ' 24' ' ' LEU . 31.0 tp60 -46.84 -26.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -62.78 -49.1 76.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.536 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' LEU . 1.3 m -70.72 -31.96 68.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD22 HG13 ' A' ' 85' ' ' ILE . 48.5 tp -65.16 -46.14 82.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -63.52 -43.66 96.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.42 -24.91 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 116' ' ' SER . 6.4 tp -74.39 -47.48 33.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.682 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -69.1 -32.69 72.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 80.45 18.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.788 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -149.49 121.17 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.644 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -76.66 92.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.788 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -144.12 43.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.07 154.79 26.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -130.12 -178.9 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -48.25 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.76 -36.67 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 2.5 mt-10 -62.75 -43.96 97.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.38 -39.15 75.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.611 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -66.02 -45.66 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.7 p -68.27 -31.74 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.06 -49.29 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.4 -48.12 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 39' ' ' SER . 8.9 m170 -63.09 -48.02 80.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 17.8 mt-30 -61.84 -34.59 76.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -62.85 -48.0 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.77 -41.83 91.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.47 -43.61 59.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.2 OUTLIER -70.02 -53.5 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.707 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.4 mp0 -59.77 -39.14 83.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 23.8 ttt180 -61.87 -49.94 74.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.7 ptm -73.73 -43.91 57.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -56.61 -51.72 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 28.6 mtp -72.92 -50.99 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -55.57 -48.8 74.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' C ' ' N ' ' A' ' 57' ' ' GLY . 2.5 mt-10 -78.82 -56.51 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.12 -19.25 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 96.5 56.62 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.005 HG23 ' HB3' ' A' ' 62' ' ' ASP . 7.7 p -49.48 -22.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 0.714 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.3 t 51.54 13.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.371 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 58' ' ' VAL . 0.7 OUTLIER 80.76 -44.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -47.44 70.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 1.005 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.902 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -66.57 -53.32 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -27.34 68.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -49.77 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.48 -43.08 27.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mt -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.4 mm-40 -48.69 -23.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-30 -72.15 160.75 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 83' ' ' GLN . 18.3 Cg_endo -74.99 131.9 14.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -97.79 -154.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 96.64 6.54 58.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.84 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.8 ptm 175.69 -172.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -93.72 -176.1 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -81.4 -59.32 2.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 78.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.74 -36.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -145.84 148.4 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.4 m-85 -119.65 157.95 27.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.975 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.3 t -67.45 150.57 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.27 -26.95 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.364 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.9 mt-30 -61.87 -26.75 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 81' ' ' SER . 4.7 m -60.62 -37.48 75.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.93 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.81 -36.48 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 30.6 t -64.52 -45.22 88.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.653 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -62.2 -39.52 93.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.81 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.33 -35.53 68.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.999 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -66.67 -50.05 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.5 ptmt -57.17 -46.76 82.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.4 m -72.52 -19.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.682 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.1 m95 -82.79 -21.13 34.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.82 -45.3 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.2 171.02 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.2 pt-20 -128.61 154.72 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 HG22 ' A' ' 170' ' ' VAL . 20.2 tp -125.14 130.84 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 169' ' ' VAL . 2.6 pp -134.18 159.47 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.692 HD11 ' OD1' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.35 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.948 ' HB2' HG13 ' A' ' 169' ' ' VAL . 18.4 t80 -89.04 -47.55 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.692 ' OD1' HD11 ' A' ' 98' ' ' LEU . 26.2 m120 -24.94 -49.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -21.6 104.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.03 20.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.16 -46.86 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.736 ' HB3' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.43 -47.54 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.685 ' HA ' HG22 ' A' ' 109' ' ' ILE . 1.3 mt-30 -55.16 -46.49 75.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -70.1 -30.94 68.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -67.99 -26.28 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 8.1 ptt-85 133.37 55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -127.54 121.09 56.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.19 154.72 40.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.96 -34.18 4.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.545 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.78 -29.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.7 m-20 -50.04 -23.69 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 4.6 mm-40 -94.21 134.15 36.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.1 OUTLIER -86.2 -5.74 59.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -147.14 103.9 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.953 ' CE1' HG12 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -114.44 158.27 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -128.73 139.41 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.43 143.87 51.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -132.24 124.98 30.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.93 108.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 37.76 -90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.6 tt0 -106.21 112.18 25.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.623 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.8 t-160 98.28 139.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.813 ' CH2' HD13 ' A' ' 85' ' ' ILE . 44.5 p-90 -129.2 164.59 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.743 ' CD1' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.24 155.21 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -108.22 123.53 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 117' ' ' PHE . 16.9 t -105.35 121.93 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.443 ' HE ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.25 160.57 26.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 4.9 ttpt -91.64 127.87 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.728 HD13 HG21 ' A' ' 9' ' ' ILE . 31.3 mt -119.17 122.21 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.38 -87.15 0.25 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -149.32 22.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 5.7 m95 -84.94 143.39 29.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 107.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.673 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 13.2 m-85 -143.77 136.41 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.6 p-10 -93.48 147.33 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -151.09 145.8 25.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 140' ' ' SER . 5.8 t30 175.51 -51.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.3 m 153.38 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -76.99 -30.03 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.826 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -84.1 -8.33 59.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.66 22.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.668 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.69 174.44 27.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -74.96 84.39 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.18 158.1 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -102.17 124.49 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.737 HD11 ' OD1' ' A' ' 137' ' ' ASN . 42.5 mt -119.81 114.97 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 145.12 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 112' ' ' ILE . 4.8 m-20 -54.69 -32.49 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -83.93 -19.61 34.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -87.26 -43.37 12.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.8 OUTLIER -54.04 -47.9 71.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.493 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.66 -44.22 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.07 -38.15 90.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.875 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.58 -51.92 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -58.26 -34.61 70.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.64 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.595 ' NE2' HD21 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.11 -48.34 82.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.943 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -68.11 -32.68 73.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.7 mt-30 -66.42 -46.52 76.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.78 -28.88 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.22 -33.25 65.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.712 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -167.88 -98.26 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.712 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.29 112.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.045 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -174.08 70.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.943 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.7 mt -133.72 137.36 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -124.51 143.12 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.953 HG12 ' CE1' ' A' ' 117' ' ' PHE . 28.1 m -109.98 132.34 58.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.866 HG13 HD12 ' A' ' 89' ' ' LEU . 17.3 t -93.11 110.09 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.0 ptpt -113.06 144.92 41.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 121.77 -162.47 15.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.9 t0 -86.58 118.62 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.866 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.7 tm? -105.43 129.89 23.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.866 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.02 117.08 4.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.7 OUTLIER -60.88 152.0 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 7.7 p -116.71 -170.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.21 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.69 -33.8 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 183' ' ' LEU . 0.0 OUTLIER -58.15 -35.86 72.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -37.68 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.98 -27.26 69.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.52 -29.32 61.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.54 ' N ' HD23 ' A' ' 183' ' ' LEU . 6.4 mt-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.6 mtt -51.89 -15.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' SER . 44.0 mm-40 -66.98 -46.88 73.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -125.76 56.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.834 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -105.59 123.03 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 160.78 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.577 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.537 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 4.0 p -115.79 173.7 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.14 -24.88 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.897 HE21 HD23 ' A' ' 24' ' ' LEU . 1.3 tm0? -47.52 -31.53 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -56.83 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . 9.3 m -63.92 -33.9 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD23 HE21 ' A' ' 21' ' ' GLN . 17.7 tp -65.04 -46.12 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 27.6 m120 -59.39 -42.08 90.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 2.0 m120 -74.75 -32.02 61.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 129' ' ' ARG . 6.3 tp -66.96 -47.57 71.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.818 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.36 -12.03 60.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 88.32 -14.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -152.71 146.23 14.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -61.02 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 68.76 35.07 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.841 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.63 154.85 25.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -128.58 179.36 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.08 -44.07 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.85 -42.03 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 40' ' ' SER . 19.0 mt-10 -62.92 -40.33 97.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 21' ' ' GLN . 3.2 tp -61.83 -44.51 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 t -62.49 -38.73 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -74.2 -31.05 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.4 tt -71.86 -42.66 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.05 -47.37 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.5 m170 -61.27 -47.95 83.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLU . 28.7 mm-40 -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.014 HD12 ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.77 -46.47 85.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 6.0 t0 -60.2 -44.55 95.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.3 mt-10 -73.35 -46.71 47.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.3 tt0 -67.33 -53.4 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 1.014 ' HG3' HD12 ' A' ' 45' ' ' LEU . 5.6 mt-10 -59.7 -38.95 83.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.7 ttt180 -60.85 -49.3 78.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.1 ptm -73.35 -43.34 60.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 51' ' ' MET . 1.3 ttt180 -61.49 -47.89 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' VAL . 5.4 ptm -72.56 -42.74 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.2 -48.8 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -77.48 -54.06 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.82 -20.26 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 99.16 60.1 0.88 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.877 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -45.55 -25.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.1 t 51.88 16.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 58' ' ' VAL . 8.3 t 75.4 -50.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -53.34 -47.16 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 58' ' ' VAL . 2.1 m-20 -60.04 -33.33 71.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.877 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.3 -53.6 34.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.633 ' HD2' HD12 ' A' ' 67' ' ' LEU . 9.1 mmm180 -67.12 -27.12 67.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -50.44 51.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.95 -43.05 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 64' ' ' ARG . 13.1 mt -37.89 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' PHE . 38.8 mm-40 -50.04 -20.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.9 mm-40 -74.51 161.06 79.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -97.19 -170.81 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.07 -12.3 31.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.1 m-20 74.96 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.523 ' HE3' ' CD2' ' A' ' 80' ' ' PHE . 9.3 ptm 168.79 -172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.9 t0 -93.26 -175.96 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.49 -55.59 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.03 72.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.92 -37.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -143.35 145.23 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.5 m-85 -119.41 159.08 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -67.46 143.16 56.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.138 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -56.14 -27.7 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.7 mt-30 -62.95 -24.67 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.808 ' CG2' HG22 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -60.83 -41.31 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.83 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.23 -43.22 98.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.0 -45.11 96.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.841 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.94 -32.73 69.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.31 -51.56 56.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.734 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.07 -46.34 82.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.5 m -70.38 -20.95 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.818 ' CE2' HD23 ' A' ' 28' ' ' LEU . 1.7 m95 -83.07 -21.29 33.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.46 -53.04 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -89.5 166.15 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.33 161.17 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.751 ' HB2' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.22 125.61 44.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.47 159.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.898 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.95 138.15 58.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.9 t80 -90.39 -44.88 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.813 HD21 ' N ' ' A' ' 166' ' ' SER . 83.0 m-20 -30.19 -43.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -24.9 109.05 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.43 20.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.6 mt-10 -69.4 -47.07 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.678 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.17 -47.04 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.5 -46.47 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.38 -38.41 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.61 -24.76 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.5 ptt180 131.09 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.678 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 118.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER -107.32 154.32 40.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.97 -40.9 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 154' ' ' ALA . 0.0 OUTLIER -77.4 -33.58 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 110' ' ' ASP . 3.1 m-20 -44.65 -26.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -111.2 1.29 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.02 100.27 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.3 OUTLIER -118.63 154.93 31.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mt -126.36 140.2 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 39.3 t -124.11 144.48 49.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 108.339 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.8 122.95 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.619 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -109.55 108.99 19.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.34 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -108.88 -73.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 143.51 52.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.893 ' CH2' HD13 ' A' ' 85' ' ' ILE . 51.0 p-90 -127.91 164.73 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -128.95 162.48 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.047 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.42 126.94 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.439 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 117' ' ' PHE . 42.5 t -106.11 124.23 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.787 ' HG3' HD12 ' A' ' 27' ' ' LEU . 1.2 tmm_? -126.72 148.31 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.519 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.7 tttt -72.45 122.3 21.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.68 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 8.3 mt -119.66 122.14 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.81 -104.38 1.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.69 12.17 6.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.486 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 11.2 mm100 -137.9 161.05 37.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 115' ' ' ARG . 3.2 m95 -83.67 142.27 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.68 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 9.4 m-85 -139.97 143.36 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.717 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -90.1 147.27 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -138.54 131.5 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.611 ' HB3' HD23 ' A' ' 141' ' ' LEU . 1.7 t30 178.8 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.446 ' N ' HD22 ' A' ' 139' ' ' ASN . 0.6 OUTLIER 165.72 -28.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -68.39 -23.68 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.83 -0.99 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.92 24.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.627 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 145.63 174.55 17.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.436 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.03 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 142.07 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -83.49 125.2 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.717 HD11 ' OD1' ' A' ' 137' ' ' ASN . 48.7 mt -115.38 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.35 149.78 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.426 ' OD1' HG13 ' A' ' 112' ' ' ILE . 4.2 t70 -56.42 -31.82 64.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.39 -11.06 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -99.84 -45.77 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.9 OUTLIER -54.29 -48.11 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.62 -43.66 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.7 -37.24 86.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.38 -51.91 57.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.693 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.17 -34.21 71.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.21 87.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.585 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -60.14 -48.69 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.07 -37.86 86.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.351 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.5 mt-30 -61.98 -46.35 89.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -70.74 -27.77 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -30.02 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.707 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.61 -95.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.707 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.94 119.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.98 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.813 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -178.09 68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.913 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.3 mt -134.9 136.73 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.138 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.45 134.6 53.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.867 HG23 ' CE1' ' A' ' 117' ' ' PHE . 1.8 p -102.09 123.92 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.778 HG12 HD22 ' A' ' 94' ' ' LEU . 4.5 t -86.74 110.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -115.06 143.29 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 129.3 -162.57 22.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.623 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 2.7 m-20 -82.58 119.25 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -111.09 134.43 21.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.779 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.5 Cg_endo -74.93 -161.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -143.26 151.34 40.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.82 -166.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.22 -40.52 64.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 131' ' ' LEU . . . -55.69 -33.66 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.5 t70 -58.22 -48.67 79.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.42 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 5' ' ' SER . 1.6 tp -61.99 -40.1 94.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.5 OUTLIER -66.21 -49.59 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.556 ' N ' HD13 ' A' ' 183' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 86.4 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.753 ' HG2' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -54.02 -12.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 5' ' ' SER . 8.9 mt-10 -60.39 -40.56 91.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' CD2' ' A' ' 182' ' ' LEU . 7.9 t -129.18 42.23 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.753 HD12 ' HG2' ' A' ' 6' ' ' MET . 1.9 mt -85.95 123.67 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 153.05 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.477 ' CE1' ' H ' ' A' ' 30' ' ' GLY . 3.1 t60 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.7 pt? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.3 m -114.86 175.12 5.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.759 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.06 -22.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.969 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.39 -32.32 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 8.9 p-80 -60.93 -52.83 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 2.9 t -60.63 -44.38 96.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.899 HD22 HG13 ' A' ' 85' ' ' ILE . 61.6 tp -56.45 -42.82 78.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.662 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 24.8 m120 -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.77 -30.26 66.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.19 -45.14 58.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -78.36 -31.04 48.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 177' ' ' CYS . 0.5 OUTLIER 66.08 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.808 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 112.06 0.29 26.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 1.7 pt-20 37.55 -102.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.808 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 26.4 m-85 88.51 -29.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 38' ' ' LEU . 4.1 p90 -110.82 138.21 47.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.645 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -88.58 -174.29 0.46 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.671 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.02 -34.09 4.06 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.08 -42.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 10.0 mt-10 -58.71 -36.53 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.969 HD22 ' HB2' ' A' ' 21' ' ' GLN . 1.9 tp -63.63 -45.09 91.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.31 -46.31 86.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -30.09 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -71.02 -50.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.931 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.47 -48.2 74.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 11.5 m170 -63.89 -44.57 92.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.5 mm-40 -65.79 -33.97 77.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -63.27 -48.04 79.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.562 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -74.14 -47.11 38.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.27 -51.38 38.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.695 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.4 tp10 -59.46 -43.17 93.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 8.9 ttm180 -59.56 -49.14 78.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.4 ptm -73.02 -44.68 60.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.4 tpp180 -59.97 -48.62 80.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.0 ptm -72.31 -39.6 68.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.54 -48.18 67.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -79.87 -33.69 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.05 -15.58 60.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 93.29 55.33 1.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.99 HG23 ' HB3' ' A' ' 62' ' ' ASP . 5.9 p -51.74 -17.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 3.0 t 49.18 16.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 m 76.32 -43.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 59' ' ' THR . 2.0 mm-40 -54.65 -46.89 74.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.99 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.84 -33.36 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.884 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -63.94 -53.48 49.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.5 mmm180 -66.84 -26.98 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -50.21 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.88 -39.76 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 64' ' ' ARG . 12.4 mt -42.0 -26.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' C ' ' A' ' 66' ' ' PHE . 32.6 mm-40 -54.59 -20.52 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.599 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.8 mm-40 -65.63 160.45 60.52 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 71' ' ' SER . 18.2 Cg_endo -74.97 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.586 ' C ' ' O ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -23.91 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.51 -22.01 32.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 74' ' ' MET . 11.1 m-80 -88.06 16.12 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.633 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 13.1 ptm 49.59 167.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 8.7 t0 -110.67 -175.69 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -125.84 -37.83 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -44.66 -55.76 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.549 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 167.85 56.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.95 124.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.712 ' CD2' HD23 ' A' ' 38' ' ' LEU . 80.0 m-85 -95.05 156.42 16.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.862 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -67.86 140.73 56.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.053 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -56.01 -27.71 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 11.1 mt-30 -62.25 -24.53 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.931 HG12 ' HB2' ' A' ' 42' ' ' ALA . 4.6 m -60.75 -40.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -62.43 -40.5 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 3.4 t -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.849 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -39.88 91.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.05 -35.2 66.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -67.32 -50.47 59.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 87' ' ' ASN . 8.1 m -72.32 -20.87 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.745 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.1 m95 -82.54 -20.76 35.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.36 -40.87 1.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.92 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.8 OUTLIER -90.5 168.69 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 171' ' ' LYS . 5.0 pt-20 -127.98 154.57 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.63 HD11 ' CB ' ' A' ' 168' ' ' PHE . 15.0 tp -124.72 140.55 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.455 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -147.47 159.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.661 HD21 ' ND2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.51 142.86 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 9.9 t80 -93.62 -37.46 11.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.876 HD21 ' N ' ' A' ' 166' ' ' SER . 66.2 m-20 -36.81 -38.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -32.02 111.9 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.92 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.3 mt-10 -74.99 -46.8 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.628 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -66.02 -45.28 82.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.35 -46.88 76.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -67.42 -34.95 78.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -68.07 -24.83 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.4 ptm180 131.83 60.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.628 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.91 118.95 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.45 153.86 40.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.764 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -28.56 9.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.68 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.27 -18.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.6 t-20 -11.27 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.2 tt0 -38.57 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER 178.69 -83.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 129' ' ' ARG . 17.0 m 179.41 133.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.887 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -124.75 158.62 32.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 126' ' ' PHE . 4.5 mt -130.13 142.88 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 33.9 m -127.57 144.53 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.2 t-20 -129.68 124.69 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -112.2 109.1 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 55.24 -85.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -109.5 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.74 141.1 57.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.614 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.804 ' HZ3' HG23 ' A' ' 127' ' ' THR . 59.2 p-90 -129.1 165.29 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.719 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.24 159.39 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.804 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -116.56 124.47 49.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 117' ' ' PHE . 3.6 t -107.46 123.94 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.457 ' HA ' ' OG ' ' A' ' 116' ' ' SER . 1.9 tmm_? -122.13 144.15 49.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -86.45 116.12 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.968 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.4 OUTLIER -101.22 120.18 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.469 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 65.83 -85.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.71 28.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.631 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 9.9 mm-40 -140.16 158.38 44.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.631 ' CZ3' ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -101.58 121.41 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.012 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 2.0 m-85 -122.01 134.64 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.93 143.09 28.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -146.28 137.34 24.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.595 ' HB3' HD23 ' A' ' 141' ' ' LEU . 7.5 t-20 175.16 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.7 m 151.44 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -78.31 -12.99 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.713 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -104.85 -7.58 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.62 23.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.617 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 165.61 173.38 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.73 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 133.15 55.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.602 HD13 ' CE2' ' A' ' 136' ' ' PHE . 25.1 tp -89.82 131.2 35.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 10.0 mt -105.05 151.18 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.3 OUTLIER -89.89 151.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.611 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -57.82 -39.83 78.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 5.9 t -83.61 -8.59 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -98.03 -48.8 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.84 -48.26 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.02 -43.28 88.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.2 -35.27 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.57 -50.55 66.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.635 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.2 mt -61.11 -34.67 75.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.01 93.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.723 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -60.71 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.917 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.528 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.2 mt-30 -64.71 -46.46 82.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -71.01 -26.74 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.48 -31.2 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.674 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.01 -100.24 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.674 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 159.71 111.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.876 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -173.83 73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.917 ' CG1' HD11 ' A' ' 160' ' ' LEU . 3.8 mt -134.93 130.99 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.053 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -118.61 136.97 53.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.887 HG23 ' CE1' ' A' ' 117' ' ' PHE . 2.1 p -109.48 132.12 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.73 HG13 HD12 ' A' ' 89' ' ' LEU . 3.9 t -86.92 117.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -122.04 137.74 54.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.499 ' N ' HH12 ' A' ' 115' ' ' ARG . . . 132.39 -150.03 19.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.92 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.4 m-20 -95.36 126.16 40.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -101.36 129.87 26.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.1 Cg_endo -75.0 143.41 29.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.26 -177.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 27.5 p -176.73 169.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 0.5 OUTLIER -53.29 -41.46 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.39 -34.59 70.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.608 ' O ' HD23 ' A' ' 183' ' ' LEU . 6.3 t70 -58.16 -44.06 87.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 4.4 pt20 -78.3 -26.23 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 5' ' ' SER . 2.4 tp -68.14 -30.56 69.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 180' ' ' ASP . 1.1 pp -56.99 -43.09 81.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.567 ' HB2' HD12 ' A' ' 183' ' ' LEU . 8.8 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.76 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.8 ttm -58.33 -11.64 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.808 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -130.7 53.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 110.036 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.6 mt -86.84 123.08 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.0 p90 163.62 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.499 ' NE2' ' O ' ' A' ' 29' ' ' GLN . 10.4 t-160 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.0 pp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.6 p -115.74 175.16 5.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.28 -23.69 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.665 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.79 -38.48 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -60.24 -43.89 95.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.8 m -64.48 -33.17 75.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD11 HG13 ' A' ' 85' ' ' ILE . 5.1 mt -62.24 -46.49 88.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m120 -61.98 -42.34 99.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 129' ' ' ARG . 1.2 t30 -74.96 -35.03 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 23' ' ' CYS . 2.2 tp -75.13 -48.32 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 92' ' ' TRP . 97.7 mt -73.51 -20.13 60.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 77.62 17.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -151.04 124.72 1.75 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 25' ' ' ASN . 8.4 pt-20 -84.07 55.49 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -108.16 52.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -156.92 152.7 27.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.9 OUTLIER -132.21 -179.3 1.02 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.614 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.25 -41.39 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.03 -40.77 98.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.2 tp -64.61 -42.49 95.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -58.88 -45.77 89.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -29.99 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -69.88 -44.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.001 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.0 m170 -64.11 -44.94 90.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 mt-30 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -59.62 -44.47 93.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -60.48 -43.91 96.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.2 mt-10 -73.22 -47.48 43.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -68.88 -51.1 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.7 tm-20 -59.74 -39.09 83.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 30.3 ttt180 -62.93 -48.74 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.0 ptm -72.56 -45.88 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -57.73 -48.77 78.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.954 ' HE2' HG21 ' A' ' 58' ' ' VAL . 7.7 ptm -72.63 -39.84 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.94 -48.29 71.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.6 mm-40 -80.65 -55.15 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.25 -21.89 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 93.78 56.87 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.954 HG21 ' HE2' ' A' ' 53' ' ' MET . 7.1 p -54.57 -17.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.3 t 51.34 15.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.567 ' H ' HG13 ' A' ' 58' ' ' VAL . 1.1 t 75.37 -43.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' THR . 7.9 mt-10 -53.39 -46.45 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.93 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.81 -33.19 75.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.882 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.31 -54.15 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -67.35 -32.03 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -50.57 73.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.699 ' HD1' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.74 -31.78 41.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -41.02 -28.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' PHE . 12.8 mm-40 -50.1 -20.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.602 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -74.94 159.49 82.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 -149.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 88.15 12.61 65.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.54 -72.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.517 ' HE1' ' CE1' ' A' ' 80' ' ' PHE . 18.2 ptm 172.77 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.6 t0 -85.77 -175.83 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -83.27 -55.42 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.94 80.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.1 -33.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -141.9 145.01 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.686 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 90.7 m-85 -119.16 157.38 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.843 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.7 p -67.24 140.05 57.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.139 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -55.95 -26.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.617 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -61.23 -24.84 66.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.001 HG12 ' HB2' ' A' ' 42' ' ' ALA . 5.6 m -60.96 -35.42 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.924 HG13 HD11 ' A' ' 24' ' ' LEU . 1.4 mp -65.57 -43.98 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 t -59.38 -44.98 92.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.902 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -61.04 -43.01 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.43 -36.05 68.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.98 HD13 HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -68.25 -50.01 56.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.3 -42.23 81.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 87' ' ' ASN . 10.4 m -75.75 -21.22 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.84 -20.57 38.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.975 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.31 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 89' ' ' LEU . 1.2 pt? -90.35 166.19 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.1 pt-20 -127.07 155.33 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 168' ' ' PHE . 21.2 tp -124.76 138.84 54.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -142.84 159.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.13 131.42 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.534 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 19.8 t80 -83.12 -45.66 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.788 HD21 ' N ' ' A' ' 166' ' ' SER . 61.8 m-20 -30.67 -42.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 5.5 t -28.31 108.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.05 21.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 4.7 mt-10 -66.11 -47.91 72.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.708 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.7 m-85 -70.09 -47.6 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.72 -46.28 77.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -65.28 -40.65 94.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.04 -25.09 67.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.6 ptt180 130.78 60.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.708 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -127.1 118.18 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.483 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 3.1 m-20 -107.24 152.39 41.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -75.0 -36.29 2.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.63 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.72 -28.94 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.9 m-20 -52.08 -20.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.66 ' HG3' HG22 ' A' ' 169' ' ' VAL . 1.1 mm-40 -92.58 171.54 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -126.33 2.47 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 9.4 t -153.12 96.62 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.125 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.4 OUTLIER -115.51 158.98 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.645 HG21 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -130.01 139.26 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.46 ' SG ' HG21 ' A' ' 128' ' ' VAL . 5.7 m -115.45 147.53 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.54 118.01 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -111.71 135.02 52.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 121' ' ' TYR . 17.1 mtmt 33.64 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tp10 -109.34 -59.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -68.08 146.59 53.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.4 p-90 -128.64 164.17 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 1.005 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 11.0 m-85 -129.39 162.58 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 125.85 54.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 117' ' ' PHE . 17.1 t -105.32 122.45 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.454 ' NH2' ' SG ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -120.62 153.87 36.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 126.59 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.802 HD12 ' CB ' ' A' ' 136' ' ' PHE . 7.9 mt -118.61 121.99 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.39 -98.57 0.59 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -136.88 17.31 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.427 ' OE1' ' OD1' ' A' ' 150' ' ' ASP . 8.3 mm100 -133.62 160.14 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.63 ' NE1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -89.53 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 5.7 m-85 -135.17 142.12 46.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.776 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -84.83 135.22 34.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.69 117.98 24.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 141' ' ' LEU . 1.5 p30 177.58 -172.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.3 t -108.44 32.12 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.959 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 1.005 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 2.0 tp -103.19 -42.46 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.843 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -102.23 -7.49 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.62 23.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.421 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -161.06 146.16 11.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.02 3.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -47.48 108.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -60.0 123.72 17.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.776 HD11 ' OD1' ' A' ' 137' ' ' ASN . 70.3 mt -104.67 124.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.98 147.0 54.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.496 ' O ' HG21 ' A' ' 112' ' ' ILE . 2.6 m-20 -56.35 -32.55 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.68 -14.48 51.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -95.42 -46.56 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.88 -48.35 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.31 -41.14 90.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -64.64 -35.6 81.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.731 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -65.02 -51.64 60.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 160' ' ' LEU . 6.8 mt -60.54 -34.65 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.07 94.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.704 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.69 -48.64 80.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.95 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.92 -35.14 77.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -64.66 -46.42 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -70.94 -27.64 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -73.59 -31.98 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.701 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -173.85 -97.49 0.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.18 119.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.987 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.788 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER -177.36 67.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.95 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -134.73 141.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.139 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -122.38 136.3 54.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 1.125 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -103.7 123.73 57.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 94' ' ' LEU . 3.0 t -87.9 112.93 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.71 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -121.2 135.19 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.92 -154.84 23.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.714 ' O ' HD22 ' A' ' 94' ' ' LEU . 69.6 m-20 -88.06 119.76 28.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -106.08 130.96 22.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.98 152.47 40.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.61 152.49 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.454 ' SG ' ' NH2' ' A' ' 129' ' ' ARG . 23.3 p -133.07 -173.02 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.73 -38.39 64.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.621 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.65 -34.73 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 0.7 OUTLIER -58.16 -36.28 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -80.5 -31.64 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.808 HD11 ' O ' ' A' ' 8' ' ' SER . 92.1 mt -60.27 -41.93 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -57.01 -47.4 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.815 ' HB2' HD12 ' A' ' 183' ' ' LEU . 3.9 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.727 ' O ' HD13 ' A' ' 182' ' ' LEU . 99.5 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.774 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.6 ttt -69.79 -1.55 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -75.87 -30.24 58.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.842 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -131.16 47.7 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -93.89 123.38 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.703 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 167.08 -143.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.619 ' CE1' ' O ' ' A' ' 29' ' ' GLN . 3.1 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.679 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 1.4 pp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.679 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 30.4 p -116.58 173.87 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.775 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -58.71 -24.98 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.54 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.4 tm0? -47.34 -45.41 24.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 51.7 m-70 -53.98 -41.28 67.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -39.36 81.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 HG13 ' A' ' 85' ' ' ILE . 8.6 tp -67.31 -41.18 85.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -59.32 -46.52 88.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.0 m-20 -69.97 -27.56 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -46.55 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 92' ' ' TRP . 35.8 mt -81.92 -11.23 59.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.619 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 69.62 -56.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.718 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.57 122.85 23.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.8 tt0 -83.26 81.57 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.718 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 -129.73 46.78 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -159.56 154.95 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -132.43 -178.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.641 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.34 -35.59 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 36.7 mt-10 -57.95 -41.91 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 84' ' ' VAL . 7.3 mt -63.01 -35.64 80.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 25.2 p -64.92 -45.71 84.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -33.24 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.85 -51.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.809 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -55.88 -47.22 77.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 39' ' ' SER . 17.2 m170 -59.46 -48.08 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.666 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.35 -34.13 67.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.083 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 -47.96 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -60.65 -44.5 96.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.32 -47.9 31.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -63.1 -45.9 89.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CD ' ' CE2' ' A' ' 66' ' ' PHE . 29.4 tt0 -65.11 -45.74 83.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.05 -48.21 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.569 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 25.9 ptm -72.39 -39.77 67.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.01 -51.39 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.695 ' HE1' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -72.83 -50.49 23.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.81 78.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -71.73 -58.17 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.15 -16.63 1.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 105.75 -33.84 6.21 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' HD1' ' A' ' 63' ' ' TYR . 7.4 p 48.43 14.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER 33.67 23.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.706 ' N ' ' O ' ' A' ' 58' ' ' VAL . 1.4 t 63.47 -53.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 59' ' ' THR . 5.7 mm-40 -53.27 -47.72 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.732 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -56.9 -33.23 66.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.811 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -62.35 -53.18 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.2 -27.01 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -50.78 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.695 ' CD1' ' HE1' ' A' ' 53' ' ' MET . 0.5 OUTLIER -79.6 -42.57 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.8 mt -37.34 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' PHE . 18.3 mm-40 -50.03 -21.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.3 mt-30 -72.7 162.43 74.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.2 Cg_endo -75.0 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -151.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 85.83 15.2 65.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 74' ' ' MET . 5.3 m-20 65.29 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 25.7 ptm 173.11 174.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 9.6 m-20 -110.65 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -146.17 27.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 t -107.98 8.59 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.16 41.73 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -159.46 137.03 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 111.014 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 62.5 m-85 -118.38 159.16 23.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.959 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.33 144.86 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.149 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -65.91 -26.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.801 ' HB3' HD11 ' A' ' 45' ' ' LEU . 1.5 mt-30 -60.84 -26.07 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 81' ' ' SER . 5.7 m -61.12 -42.08 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.845 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.93 -42.47 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 34.9 t -56.55 -45.42 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.714 HD21 HD23 ' A' ' 45' ' ' LEU . 2.8 m-80 -65.55 -36.95 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.64 -35.41 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.725 HD13 HD11 ' A' ' 94' ' ' LEU . 1.8 mt -67.52 -50.5 58.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.99 -46.48 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.5 m -71.56 -21.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.97 -20.99 37.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.83 -40.01 1.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.8 168.73 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 171' ' ' LYS . 1.7 pt-20 -123.0 154.3 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.581 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.75 125.95 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.5 pp -137.1 158.65 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.358 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.909 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.94 124.12 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' A' ' 167' ' ' ILE . 1.2 t80 -73.0 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.909 ' HB2' HD23 ' A' ' 98' ' ' LEU . 33.3 m-20 -32.37 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.3 OUTLIER 6.57 105.55 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.942 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.51 21.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.762 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 11.8 tt0 -72.57 -46.4 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.672 ' O ' HD13 ' A' ' 109' ' ' ILE . 4.0 m-85 -69.94 -46.14 65.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 101' ' ' SER . 77.5 mm-40 -53.88 -47.13 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -35.13 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.748 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -63.48 -25.3 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.748 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.0 mtt-85 130.94 55.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.3 mp -126.83 121.93 59.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -106.46 154.71 39.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.04 -43.63 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -73.62 -24.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.559 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -64.05 -13.8 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.49 ' CG ' HG22 ' A' ' 169' ' ' VAL . 6.8 tp10 -87.27 126.43 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.44 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 3.8 tmt_? -66.43 -34.63 78.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.1 OUTLIER -141.14 113.2 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.119 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.76 152.19 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.746 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mt -125.7 144.6 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.59 145.63 50.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.512 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.8 t-20 -129.6 124.87 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.653 ' CE1' ' HE3' ' A' ' 122' ' ' LYS . 11.2 t80 -113.69 115.57 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.653 ' HE3' ' CE1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 52.27 -89.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.6 tt0 -109.08 -61.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' ' OD1' ' A' ' 139' ' ' ASN . 17.5 t-160 -68.07 142.54 55.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.845 ' CH2' HD13 ' A' ' 85' ' ' ILE . 49.1 p-90 -128.32 164.37 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.622 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.4 m-85 -129.11 162.58 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.629 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -117.93 133.2 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.119 HG21 ' CE2' ' A' ' 117' ' ' PHE . 25.1 t -115.75 126.72 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.48 146.95 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 101.46 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.714 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -94.05 122.45 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.504 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.74 -92.74 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.38 20.19 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.523 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 14.1 mm-40 -141.08 160.8 39.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -88.71 133.27 34.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.714 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 2.3 m-85 -129.46 134.28 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.658 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -94.0 129.27 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.727 ' HA ' HD21 ' A' ' 142' ' ' LEU . 1.3 mt -139.02 146.47 40.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.656 ' O ' ' CB ' ' A' ' 140' ' ' SER . 15.1 t-20 173.99 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.6 m 145.63 1.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.622 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -89.91 -33.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.754 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -95.04 -6.31 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.19 24.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 174.3 158.03 17.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.2 6.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 133.93 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.553 ' CD2' ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -79.59 123.45 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 137' ' ' ASN . 66.9 mt -104.8 139.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 154.19 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.594 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -56.07 -39.23 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 4.1 t -83.53 -2.7 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -53.87 -48.09 70.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.38 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.95 -36.55 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.794 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.37 -51.78 61.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.86 -34.68 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 162' ' ' GLN . . . -64.87 -42.97 94.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.672 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.56 -48.61 81.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -67.73 -34.29 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.2 mt-30 -66.31 -46.39 77.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 158' ' ' ALA . 50.0 mm-40 -70.78 -27.84 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.23 -33.5 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.702 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.3 -96.62 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.702 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.71 122.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.533 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 175.73 72.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.947 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 15.4 mt -134.66 127.05 48.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.149 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.1 m-85 -114.14 128.0 56.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -98.67 126.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -87.53 111.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.531 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -120.93 137.6 54.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 137.95 -153.77 22.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.859 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.3 m-20 -90.71 120.14 31.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.548 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.5 tm? -103.27 127.65 29.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.548 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 148.81 35.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.75 159.86 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 20.1 p -144.57 169.05 18.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.2 mm-40 -54.17 -42.63 69.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.41 -36.92 69.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 183' ' ' LEU . 33.0 t70 -58.03 -38.7 76.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 184' ' ' GLN . 1.8 mt-30 -77.36 -29.73 53.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 8' ' ' SER . 95.5 mt -64.98 -35.92 82.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.894 HD12 ' HG3' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -56.54 -46.58 80.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.894 ' HG3' HD12 ' A' ' 183' ' ' LEU . 37.7 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.734 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.8 -17.68 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.13 -31.73 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.599 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.9 OUTLIER -151.83 54.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -91.14 124.09 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 154.05 -168.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.605 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.632 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.924 ' N ' HD12 ' A' ' 18' ' ' LEU . 78.2 m -115.99 173.74 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.725 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.04 -24.33 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.66 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.73 -45.29 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.614 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 14.7 m-70 -54.1 -48.17 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' SG ' ' ND2' ' A' ' 139' ' ' ASN . 4.4 m -64.38 -32.59 74.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 85' ' ' ILE . 23.3 tp -66.76 -44.41 81.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 15.2 m-20 -60.53 -42.27 96.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 3.6 m-80 -74.9 -31.09 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -73.53 -42.92 61.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.854 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -72.02 -3.07 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 82.63 -6.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -166.29 160.08 33.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.541 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -75.13 -104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 69.07 12.6 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -136.96 145.24 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.499 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.27 173.07 3.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.602 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.81 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.43 -35.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -61.4 -46.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.5 mt -57.0 -45.38 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.483 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -59.48 -45.69 90.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.12 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.61 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -70.04 -47.06 70.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.983 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.31 -47.51 78.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 12.2 m170 -68.61 -42.88 77.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -65.74 -42.64 90.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -45.29 94.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -74.27 -44.14 54.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 31.8 tt0 -67.57 -45.81 74.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 66.6 mm-40 -62.28 -44.93 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 45.5 ttt180 -58.47 -48.91 79.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 26.8 ptm -72.96 -44.98 60.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -58.91 -48.3 81.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.2 ptm -72.53 -40.94 66.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -61.72 -48.56 80.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -83.33 -33.63 25.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -63.91 -10.21 37.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 85.44 48.6 4.71 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.846 ' O ' HG22 ' A' ' 59' ' ' THR . 2.7 p -43.3 -25.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 58' ' ' VAL . 13.0 t 53.46 14.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.7 t 77.87 -43.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' THR . 41.8 mm-40 -53.29 -47.62 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -65.44 -32.9 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.725 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.98 -53.17 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -65.45 -27.39 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -49.7 49.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.44 -43.57 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.0 mt -37.39 -31.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.478 ' N ' ' C ' ' A' ' 66' ' ' PHE . 14.7 mm-40 -49.29 -23.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -69.19 166.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.01 129.69 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -157.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.07 10.66 74.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 81.9 m-20 64.78 -68.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.8 ptm 175.45 175.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 32.7 t0 -110.81 173.83 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -140.59 16.96 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 t -100.38 -1.19 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 125.1 48.48 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.83 121.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 26.4 m-85 -99.45 159.88 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.977 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.69 139.39 57.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.099 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.55 -26.68 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.69 ' OE1' HG22 ' A' ' 82' ' ' ILE . 3.9 mp0 -60.46 -28.13 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.977 HG22 ' O ' ' A' ' 81' ' ' SER . 4.9 m -61.45 -35.34 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.993 HG23 HD13 ' A' ' 24' ' ' LEU . 1.1 mm -65.73 -46.79 88.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 40.0 t -55.78 -45.66 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.7 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.0 m-80 -62.86 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.65 -35.35 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.927 HD13 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -67.81 -50.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.1 -46.6 82.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.5 m -71.21 -22.39 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.854 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.2 m95 -80.48 -21.38 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.69 -37.53 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.83 166.52 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' LYS . 9.9 pm0 -122.02 152.35 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.824 HD13 HG22 ' A' ' 170' ' ' VAL . 64.4 tp -124.89 136.23 53.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.636 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.6 pp -146.37 158.22 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.1 OUTLIER -65.36 133.7 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB2' HG23 ' A' ' 169' ' ' VAL . 11.5 t80 -82.81 -42.92 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.692 ' O ' ' C ' ' A' ' 101' ' ' SER . 2.7 m-20 -29.1 -60.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -4.74 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.86 19.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.5 tt0 -70.07 -46.91 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.697 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.0 m-30 -66.91 -46.15 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -55.45 -46.84 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -39.42 93.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -65.53 -24.91 67.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptt85 130.68 61.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.697 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.94 118.52 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.71 154.07 40.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.721 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.01 -39.01 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.71 -18.9 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.0 m-20 -64.83 -10.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.786 ' HG2' HG22 ' A' ' 169' ' ' VAL . 13.6 tp10 -89.67 155.08 19.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -100.96 -3.62 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.2 OUTLIER -173.31 108.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 1.053 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.38 158.36 21.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 82' ' ' ILE . 2.0 mt -123.03 144.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -125.11 140.46 52.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 108.313 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -130.08 126.89 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -113.97 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.93 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -108.76 -74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -59.28 140.17 56.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.725 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.0 p-90 -128.69 164.65 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.59 ' HA ' ' ND2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -128.5 162.71 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.678 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -114.63 131.82 56.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.053 HG21 ' CE2' ' A' ' 117' ' ' PHE . 13.8 t -117.57 121.23 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.734 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.13 153.38 46.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.551 ' HE3' ' CD1' ' A' ' 135' ' ' TRP . 6.7 mtpt -79.04 103.46 9.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -89.11 122.41 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.585 ' N ' HD22 ' A' ' 131' ' ' LEU . . . 68.85 -79.2 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 23.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 21.2 mm100 -141.06 158.79 43.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -80.97 115.92 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.814 ' HE1' HD13 ' A' ' 147' ' ' LEU . 3.2 m-85 -118.27 138.24 52.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.408 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -86.48 146.81 26.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.6 123.91 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.59 ' ND2' ' HA ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER 167.44 -174.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.8 t -93.73 11.6 28.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.4 tp -88.89 -41.62 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.26 -10.67 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 50.07 19.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.593 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 177.46 170.14 39.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.3 134.97 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.814 HD13 ' HE1' ' A' ' 136' ' ' PHE . 9.5 tp -87.07 125.49 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 147' ' ' LEU . 15.5 mt -104.6 140.38 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.42 151.04 26.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.65 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -55.0 -39.14 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 8.5 t -83.62 -16.5 45.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.48 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -85.61 -47.79 9.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 112' ' ' ILE . 0.9 OUTLIER -54.22 -48.11 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.63 -40.77 98.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -61.16 -52.22 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 1.025 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.04 -32.6 71.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.79 78.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.638 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -68.55 -50.48 51.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 1.053 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.63 -32.29 73.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.986 ' N ' HD13 ' A' ' 160' ' ' LEU . 2.7 mt-30 -64.02 -46.59 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -29.43 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.9 mm-40 -71.08 -41.77 70.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.604 ' O ' ' CG ' ' A' ' 165' ' ' TYR . . . -168.08 -96.08 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.604 ' CG ' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 158.17 127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.659 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.54 58.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 1.053 HD11 HD11 ' A' ' 160' ' ' LEU . 1.6 mt -119.93 127.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.099 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.2 m-85 -119.47 113.26 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.786 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -84.67 132.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.824 HG22 HD13 ' A' ' 96' ' ' LEU . 4.2 t -89.87 111.54 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.636 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -114.9 134.02 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 133.2 -151.54 20.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.9 t70 -90.98 119.05 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.839 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -97.75 132.23 25.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.839 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 135.93 19.63 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 4.8 m-20 -82.74 152.1 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -137.02 -165.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.6 mm-40 -52.97 -37.78 61.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.22 -40.82 71.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 183' ' ' LEU . 24.4 t0 -58.26 -34.72 70.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . 0.543 ' OE1' HD23 ' A' ' 182' ' ' LEU . 6.7 tm0? -74.12 -37.05 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 179' ' ' ALA . 13.2 mt -66.8 -29.06 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.77 -41.31 77.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.61 ' N ' HD23 ' A' ' 183' ' ' LEU . 15.0 mm100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.7 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.822 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.7 mtt -52.83 -16.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.86 -33.36 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.652 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -149.51 54.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.2 mt -89.47 123.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.1 m-30 154.14 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CE1' ' HA2' ' A' ' 30' ' ' GLY . 7.7 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.2 pp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.685 ' N ' HD12 ' A' ' 18' ' ' LEU . 27.3 p -109.11 175.37 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.726 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -49.9 -24.89 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.578 HE22 HD23 ' A' ' 24' ' ' LEU . 37.0 tp60 -47.02 -23.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -68.62 -49.74 56.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 4.5 m -63.32 -35.38 80.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.023 HD22 HG13 ' A' ' 85' ' ' ILE . 32.1 tp -67.22 -35.31 79.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 21' ' ' GLN . 26.5 m120 -66.42 -45.36 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -72.52 -35.91 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 24' ' ' LEU . 6.9 tp -63.68 -47.47 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.766 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.59 -7.74 46.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 76.95 -1.99 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -160.64 137.71 5.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -58.92 -106.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER 66.81 40.47 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CB ' HE21 ' A' ' 21' ' ' GLN . 0.2 OUTLIER -159.65 154.79 25.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -124.57 171.93 6.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.63 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -55.68 -36.05 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -60.64 -44.88 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.8 mt -57.42 -44.34 84.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -59.62 -45.64 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -39.63 77.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.98 -50.51 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.832 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.19 -45.49 79.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 17.3 m170 -68.08 -42.11 80.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 67.8 mt-30 -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.95 -43.02 72.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.31 -45.82 92.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.5 mm-40 -74.36 -47.1 36.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.552 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 4.9 mm-40 -68.31 -51.88 39.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.48 -41.66 90.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.4 ttt180 -68.49 -46.23 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 13.9 mtm -71.84 -51.67 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.9 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 1.05 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.6 ptm -71.05 -48.71 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 53' ' ' MET . . . -60.03 -36.85 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.7 mm-40 -65.75 -50.07 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.8 -6.42 11.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 92.96 -12.8 69.18 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.05 HG13 ' O ' ' A' ' 53' ' ' MET . 2.9 m 48.74 8.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.64 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 35.74 24.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 66.99 -54.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' THR . 13.3 mt-10 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' CG ' ' CG2' ' A' ' 59' ' ' THR . 35.7 m-20 -56.13 -35.15 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.817 ' CD2' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -70.04 -52.93 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.9 mtp180 -67.07 -27.34 67.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -50.55 37.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -79.03 -42.94 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.7 mt -38.28 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' PHE . 36.1 mm-40 -51.7 -24.2 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -65.64 164.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.95 130.82 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -82.7 -152.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 79.52 1.91 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.8 m120 67.98 -67.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.355 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.8 ptm 176.71 172.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 7.2 t70 -110.69 176.03 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -140.87 19.68 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -100.26 12.68 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.94 22.99 5.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -141.95 132.54 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 61.6 m-85 -115.57 160.41 20.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 37.4 t -66.17 139.91 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.087 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -61.7 -26.21 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.448 ' OE1' ' CE1' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -60.87 -25.89 67.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 9.7 m -61.66 -37.91 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.023 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -66.76 -37.5 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 23.1 t -62.61 -45.01 94.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.77 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.7 m-80 -63.41 -40.38 97.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.642 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.69 -35.0 74.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.982 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.98 -49.98 58.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.14 -41.6 79.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 87' ' ' ASN . 13.3 m -76.35 -21.24 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.766 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -82.78 -20.8 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.63 -46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.982 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.34 171.32 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' LYS . 2.8 pt-20 -128.95 156.37 43.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 170' ' ' VAL . 7.4 tp -124.97 141.89 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 169' ' ' VAL . 2.8 pp -147.14 158.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.96 135.45 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 167' ' ' ILE . 8.4 t80 -87.25 -43.23 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.651 ' HB2' HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -33.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.9 t -29.56 116.29 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.21 18.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 tp10 -75.46 -45.97 35.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.2 m-85 -63.76 -46.33 85.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.2 mt-30 -55.4 -46.99 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -65.26 -35.7 81.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -69.26 -24.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 48.3 mtp180 131.6 61.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.88 118.33 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 4.4 m-20 -107.23 153.98 40.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.737 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -75.03 -32.65 5.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.713 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -81.88 -26.72 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.5 t-20 -1.52 83.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 113' ' ' ASN . 51.2 tt0 -33.1 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' CZ ' ' O ' ' A' ' 170' ' ' VAL . 0.6 OUTLIER 176.66 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 t -169.75 141.79 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.931 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -133.59 158.56 42.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 82' ' ' ILE . 2.2 mt -126.32 140.32 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.517 ' SG ' HD22 ' A' ' 160' ' ' LEU . 8.7 t -125.71 143.36 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.571 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -129.78 117.72 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -114.15 107.99 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 36.5 88.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 72.48 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.1 131.38 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.867 ' CH2' HD13 ' A' ' 85' ' ' ILE . 37.7 p-90 -129.5 165.17 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -128.86 160.68 31.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.52 121.36 44.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 117' ' ' PHE . 6.7 t -110.67 130.29 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.78 157.02 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -80.64 107.89 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -92.58 122.32 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.79 -80.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -152.0 24.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.74 ' OE1' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -140.7 158.82 43.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.681 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -84.69 115.55 22.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.668 ' CZ ' HD12 ' A' ' 131' ' ' LEU . 3.7 m-85 -116.29 142.8 46.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.871 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -95.48 146.85 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.67 125.89 18.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.721 ' HB3' HD23 ' A' ' 141' ' ' LEU . 3.4 t30 -179.23 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.8 m 158.3 -22.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.721 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -70.66 -17.92 62.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.56 -1.93 56.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.44 23.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.581 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 152.44 178.46 27.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.33 5.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 115.86 8.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.74 HD11 ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -66.62 128.17 35.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.871 HD11 ' OD1' ' A' ' 137' ' ' ASN . 9.2 mt -108.55 113.61 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.52 142.64 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.5 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -55.11 -28.42 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.6 t -83.58 -24.96 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.99 -44.43 11.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.2 OUTLIER -54.06 -47.73 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.92 -46.05 79.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.963 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.88 -35.58 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.828 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.56 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.706 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -62.09 -34.72 76.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.54 92.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.682 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.94 -49.24 78.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.894 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -61.16 -43.08 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -31.22 68.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.4 mm-40 -67.58 -38.28 83.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.721 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.74 -91.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.721 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 156.89 113.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -175.55 73.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.894 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.4 mt -135.13 132.12 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -120.9 147.46 45.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.931 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.39 125.65 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.3 140.82 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 123.36 -158.21 17.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 0.562 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 4.9 t0 -89.07 118.43 28.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.762 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.1 tm? -107.97 129.81 23.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.762 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -84.04 155.42 22.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.75 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.96 -36.69 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.57 -39.53 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 17.0 t70 -58.49 -35.49 72.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -74.13 -37.12 64.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.652 HD11 ' O ' ' A' ' 8' ' ' SER . 28.1 mt -63.91 -33.98 76.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -56.85 -48.35 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.756 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.6 mtt -53.34 -16.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.01 -22.73 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.609 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.85 51.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 6' ' ' MET . 9.7 mt -95.93 123.29 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.7 p90 168.06 -151.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.578 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 2.6 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.611 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.7 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.673 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.6 p -116.06 174.01 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.828 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.43 -26.17 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -48.2 -32.35 6.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -50.04 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 27' ' ' LEU . 68.0 m -67.65 -39.65 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 HD21 ' A' ' 89' ' ' LEU . 13.8 tp -63.39 -39.5 94.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -63.22 -46.35 87.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 10' ' ' PHE . 49.0 t30 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -65.21 -47.5 76.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 92' ' ' TRP . 21.7 mt -74.63 -22.63 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 9.0 tp60 64.94 118.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.646 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 103.96 136.58 8.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -85.31 107.09 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 9.2 m-85 -144.32 -22.61 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.789 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.55 154.1 18.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -132.39 178.9 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.689 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.69 -36.27 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 12.3 mt-10 -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.6 mt -57.56 -45.36 85.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.24 -45.97 89.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -33.91 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.99 -48.46 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.778 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.06 -47.87 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 39' ' ' SER . 5.1 m170 -64.7 -47.63 77.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 4.4 mt-30 -63.07 -33.16 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -66.51 -44.11 83.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 19.5 t0 -60.56 -47.2 87.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.617 ' CG ' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -74.35 -38.87 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 40.4 tt0 -72.39 -55.09 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -60.26 -37.14 79.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.8 ttm180 -64.76 -49.37 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.9 ptm -72.55 -42.02 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.2 ttt180 -62.25 -49.93 73.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.503 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.0 ptm -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.32 78.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.62 -32.6 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -64.9 -9.25 39.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 88.71 50.71 3.26 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.05 -28.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 53.09 13.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 t 78.65 -46.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.64 -47.42 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 1.1 m-20 -62.43 -33.37 74.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.36 -53.3 30.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -65.52 -30.49 71.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -49.89 65.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.63 -42.16 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' PHE . 13.6 mt -37.59 -30.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 17.3 mm-40 -50.51 -22.99 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -68.13 162.94 55.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.0 -160.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 70' ' ' PRO . 11.8 p -34.49 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA2' ' OG ' ' A' ' 81' ' ' SER . . . 98.34 37.95 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.772 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.2 OUTLIER -136.94 11.3 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.772 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER 54.13 149.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 38.0 t0 -111.18 162.94 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.49 32.5 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -114.9 4.84 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.68 36.46 2.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -152.11 137.53 17.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.983 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.755 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 84.7 m-85 -112.31 159.54 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 1.0 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.3 t -66.98 139.5 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.025 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -60.28 -27.53 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 6.8 mt-30 -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 81' ' ' SER . 10.5 m -60.84 -39.88 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.782 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.31 -45.13 99.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 13.1 t -55.81 -45.49 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.948 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.8 m-80 -62.01 -39.13 91.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.789 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.2 -39.09 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 ' CD1' ' A' ' 94' ' ' LEU . 3.3 mt -66.54 -47.51 72.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -57.01 -48.77 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.948 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -71.05 -20.77 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.74 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.4 m95 -81.56 -20.75 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.34 -38.88 1.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.29 170.37 10.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -125.51 150.88 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -124.73 125.93 44.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.705 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -142.51 159.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.688 HD21 ' ND2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.34 136.52 57.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' OE1' ' A' ' 105' ' ' GLN . 7.8 t80 -88.78 -39.24 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.822 HD21 ' N ' ' A' ' 166' ' ' SER . 98.1 m-20 -29.17 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.3 OUTLIER -25.36 107.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.943 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.01 -14.97 20.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.4 tt0 -69.48 -47.19 64.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.67 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 5.1 m-85 -69.1 -46.65 67.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.23 -46.93 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 3.3 mtt-85 -64.8 -41.51 95.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.26 -24.75 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt180 129.65 63.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.67 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.89 119.6 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.638 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.88 154.92 39.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.95 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.657 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.61 -18.29 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.638 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -65.06 -13.66 58.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.604 ' CD ' HG13 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -91.64 -177.2 4.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -111.47 -49.06 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.654 ' O ' HG13 ' A' ' 170' ' ' VAL . 0.6 OUTLIER -124.58 118.71 27.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.701 ' CE2' ' HA ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -114.06 145.53 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 1.009 HD12 HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -120.71 141.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.49 ' SG ' HD22 ' A' ' 160' ' ' LEU . 11.0 t -127.5 142.94 51.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.322 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.2 OUTLIER -129.48 123.71 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.626 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.6 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 37.9 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.3 tt0 -106.51 113.13 26.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.2 t-160 95.52 140.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.646 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.828 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.1 p-90 -128.76 165.31 21.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.741 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.27 158.51 37.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.963 HG23 HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -115.43 126.85 54.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.629 ' N ' ' O ' ' A' ' 117' ' ' PHE . 12.4 t -112.51 127.25 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 21.0 ptt-85 -128.98 146.63 50.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 20.9 pttp -70.95 120.99 17.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 9.3 tt -119.68 121.75 39.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.534 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 67.44 -108.07 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.27 14.62 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.43 154.57 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.657 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 9.3 m95 -76.94 137.2 38.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.6 m-85 -128.22 133.03 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.699 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -91.49 150.94 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.443 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -148.06 134.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.51 ' HB3' HD23 ' A' ' 141' ' ' LEU . 31.1 t30 175.67 -69.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.0 t 161.21 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -70.38 -22.14 62.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.47 -2.62 58.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.32 23.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.652 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 151.07 176.8 24.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.44 ' CB ' HD21 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -48.3 157.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.12 123.71 46.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.699 HD11 ' OD1' ' A' ' 137' ' ' ASN . 15.7 mt -114.62 119.73 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.33 148.28 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -54.95 -34.77 63.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.81 -17.18 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.413 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -86.89 -42.6 13.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.4 tm? -54.45 -48.36 71.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.519 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.64 -44.65 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.93 -36.46 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.814 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.69 -50.07 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 111' ' ' PRO . 4.3 mt -59.59 -34.74 73.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.39 87.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.617 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.73 -49.85 75.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.895 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.37 -38.76 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.7 mt-30 -60.92 -40.46 93.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -70.97 -33.68 70.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 159' ' ' GLN . 0.3 OUTLIER -64.69 -42.26 95.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.71 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.71 -87.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.71 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 156.23 121.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.759 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.822 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 179.65 72.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.895 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.7 mt -135.5 128.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.025 ' CE2' HG21 ' A' ' 82' ' ' ILE . 2.3 m-85 -117.9 130.83 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.604 HG13 ' CD ' ' A' ' 114' ' ' GLU . 1.2 t -108.53 128.78 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.938 HG23 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -98.62 116.93 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.499 ' HB3' ' NH2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -114.43 143.82 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 136.37 -144.46 16.18 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 1.013 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.8 m-20 -96.66 118.8 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 27' ' ' LEU . 1.6 tm? -102.87 126.3 33.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.584 ' O ' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 162.16 37.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -98.09 135.54 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 14.9 p -109.2 -177.29 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.87 -42.77 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.23 -38.21 70.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 176' ' ' ASP . 1.0 OUTLIER -57.77 -34.56 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -40.75 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 179' ' ' ALA . 8.2 mt -62.69 -27.08 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.4 OUTLIER -56.46 -43.0 79.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.508 ' N ' HD13 ' A' ' 183' ' ' LEU . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.55 ' OG ' HD11 ' A' ' 9' ' ' ILE . 54.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.803 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -52.29 -11.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 5' ' ' SER . 14.5 pt-20 -53.08 -47.34 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.641 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.6 OUTLIER -136.41 49.98 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.803 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -86.19 123.78 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 159.46 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.524 ' HB2' ' CB ' ' A' ' 26' ' ' ASN . 3.0 t60 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.4 pp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.4 p -115.34 174.71 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.26 -24.97 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.737 ' OE1' HD21 ' A' ' 38' ' ' LEU . 6.2 tp60 -47.12 -32.49 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -57.09 -50.59 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.595 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -64.83 -39.25 93.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.875 HD11 HD21 ' A' ' 89' ' ' LEU . 7.4 tp -63.26 -42.44 99.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 23.6 m120 -59.43 -45.64 90.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.43 -26.41 62.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.664 ' CD2' HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -75.14 -47.21 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 58.0 mt -75.3 -1.46 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.75 -46.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.652 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -119.36 132.42 9.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.49 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 74.7 42.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.11 155.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.86 179.36 1.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -33.18 4.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.32 -46.23 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.2 mt-10 -60.99 -45.6 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.737 HD21 ' OE1' ' A' ' 21' ' ' GLN . 2.9 tp -57.03 -45.55 83.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -62.79 -37.8 88.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -75.1 -31.84 61.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.3 tt -71.71 -41.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.82 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.73 -47.46 75.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.2 m170 -60.88 -47.17 87.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.8 mt-30 -61.79 -34.05 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -64.4 -45.7 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -59.95 -44.7 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' O ' ' HE2' ' A' ' 51' ' ' MET . 49.9 mt-10 -73.73 -40.84 63.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 37.0 mt-10 -69.54 -55.55 9.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.28 -38.0 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.1 ttm180 -61.31 -49.81 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 23.4 ptp -73.3 -46.49 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.589 ' N ' ' HG3' ' A' ' 51' ' ' MET . 4.6 tpt180 -58.54 -47.9 82.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.609 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.9 ptm -72.19 -42.61 65.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.3 78.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' GLY . 1.2 mm-40 -80.54 -56.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -40.4 -23.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 103.42 58.0 0.74 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -43.61 -26.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 52.53 15.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 2.9 t 76.27 -51.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -53.51 -47.82 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.5 m-20 -58.72 -33.47 70.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.32 -34.98 79.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -50.68 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -79.27 -44.0 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 63' ' ' TYR . 12.0 mt -35.55 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.1 mm-40 -47.77 -23.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -72.56 165.52 50.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.338 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.97 130.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -153.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 77.01 0.18 68.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 69.98 -60.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.604 ' HE1' ' CE2' ' A' ' 80' ' ' PHE . 24.7 ptm 177.18 -176.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.7 -176.32 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.67 23.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t -108.93 3.96 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.82 35.62 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -164.35 135.5 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' ' HE1' ' A' ' 74' ' ' MET . 61.5 m-85 -111.13 159.74 17.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 t -66.76 143.23 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.077 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -57.45 -27.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.6 mt-30 -63.17 -24.61 67.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.48 -43.77 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.824 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.54 -40.99 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 22.9 t -59.51 -44.18 93.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.914 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -40.85 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.01 -34.65 69.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.875 HD21 HD11 ' A' ' 24' ' ' LEU . 1.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.98 -44.65 82.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.7 m -73.59 -21.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.77 -20.73 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.92 -39.59 1.84 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.7 OUTLIER -90.41 169.09 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.1 pt-20 -124.83 152.87 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.76 125.14 43.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.72 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -134.29 158.36 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.737 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -65.46 136.52 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t80 -85.99 -44.26 12.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.737 ' HB2' HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -26.79 -56.96 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.658 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -11.56 107.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.004 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HA ' ' HG3' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -75.0 -15.77 20.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.4 tt0 -66.73 -47.74 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.659 ' O ' HD13 ' A' ' 109' ' ' ILE . 10.2 m-85 -69.87 -44.56 69.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.56 -46.72 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -66.47 -40.94 89.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -62.42 -25.14 67.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 20.6 mtt180 130.14 62.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -126.88 120.71 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 154.75 39.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.694 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.01 -35.93 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.528 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.85 -18.84 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.61 61.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 117' ' ' PHE . 2.6 pm0 -162.22 -178.53 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.585 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -117.0 -14.86 10.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 11.4 t -167.53 121.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.41 158.65 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -125.58 135.98 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.97 143.38 51.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.73 126.05 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.12 -90.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 16.6 tt0 -107.06 111.8 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.0 t-160 97.19 139.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.824 ' CH2' HD13 ' A' ' 85' ' ' ILE . 40.7 p-90 -128.81 165.06 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.761 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 2.3 m-85 -129.02 161.35 30.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.4 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -113.43 126.65 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 117' ' ' PHE . 57.1 t -105.28 121.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 130' ' ' LYS . 55.8 ttt-85 -118.41 152.96 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.448 ' C ' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -94.39 126.06 39.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.786 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 3.4 mm? -110.19 121.63 45.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 65.23 -84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 30.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.631 ' HB3' HD21 ' A' ' 147' ' ' LEU . 15.2 mm-40 -140.68 160.38 40.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.645 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -98.32 130.65 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 131' ' ' LEU . 4.2 m-85 -131.56 143.46 50.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -95.35 133.91 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.539 ' N ' HD22 ' A' ' 137' ' ' ASN . 0.4 OUTLIER -139.5 138.53 36.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 140' ' ' SER . 12.4 t-20 174.43 -46.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.8 m 144.9 -19.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.761 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.64 -29.48 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.729 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.94 -9.25 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.67 23.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.452 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 176.1 154.79 11.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 65.06 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -54.23 144.54 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -88.59 125.13 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 137' ' ' ASN . 31.2 mt -104.84 146.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.645 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -54.91 -37.66 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 6.0 t -83.52 -3.37 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.23 -48.9 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -54.0 -47.94 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.54 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.72 -44.44 81.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.87 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.909 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.24 -52.07 65.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.59 -34.46 74.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.33 88.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.597 ' NE2' HD21 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -65.52 -48.52 72.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.28 -34.11 77.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 9.5 mt-30 -64.71 -46.82 80.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -71.16 -27.05 63.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.3 -32.44 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.95 -96.67 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 157.07 115.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -177.93 73.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 10.1 mt -134.83 130.1 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 1.077 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -120.78 143.02 49.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.8 p -112.26 128.89 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -86.88 110.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.88 138.33 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 131.62 -157.42 22.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . 1.023 ' O ' HD22 ' A' ' 94' ' ' LEU . 20.0 t0 -85.36 120.04 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 27' ' ' LEU . 1.7 tm? -110.97 125.57 30.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.582 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.04 159.34 41.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ASP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -97.12 153.18 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 p -124.84 -173.01 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 108.332 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 181' ' ' GLN . 1.2 mm-40 -53.31 -38.03 62.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.786 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -55.72 -33.54 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 31.9 t70 -58.28 -40.57 82.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.93 -36.56 64.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 8' ' ' SER . 45.2 mt -64.75 -27.61 69.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.7 OUTLIER -56.87 -49.6 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.844 ' HB2' HD13 ' A' ' 183' ' ' LEU . 1.7 mt-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.647 ' HD3' HD11 ' A' ' 186' ' ' ILE . 18.3 Cg_endo -75.05 -5.47 16.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 86.12 -47.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . -148.11 113.56 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.5 p -67.37 -48.91 66.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.581 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.9 -13.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 21.1 mm-40 -52.81 -33.72 50.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.598 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.07 58.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 8.1 mt -87.43 123.67 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 156.52 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 26' ' ' ASN . 11.0 t-160 -100.07 135.91 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' HIS . 1.4 pt-20 -49.26 -103.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 1.6 ttmm -83.34 122.71 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' OE1' ' OD1' ' A' ' 26' ' ' ASN . 15.5 tp60 -121.95 117.93 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.0 66.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.05 81.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 50.0 m -117.73 110.82 18.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' A' ' 19' ' ' CYS . 4.0 pp -175.04 -50.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' A' ' 18' ' ' LEU . 29.4 m -115.02 174.55 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.736 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.4 -24.05 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.752 ' OE1' HD23 ' A' ' 24' ' ' LEU . 4.1 tp-100 -46.39 -22.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.485 ' CE1' HD21 ' A' ' 26' ' ' ASN . 31.0 t60 -69.95 -52.14 26.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.52 -36.5 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' OE1' ' A' ' 21' ' ' GLN . 33.1 tp -62.64 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 16.9 m120 -61.22 -42.98 99.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 38.5 m-20 -68.91 -40.54 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 24' ' ' LEU . 3.7 tp -63.44 -46.95 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.679 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.53 -9.06 46.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.94 -5.35 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.731 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.24 131.56 2.43 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -56.19 -108.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.731 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.2 m-85 75.04 13.53 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -128.89 147.54 50.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 2.3 m -111.99 167.33 9.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.621 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -32.73 5.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.11 -41.96 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.4 mt-10 -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 84' ' ' VAL . 1.4 mt -56.73 -45.12 82.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.595 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -64.32 -43.31 95.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -40.59 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -61.6 -44.33 98.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.06 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -62.46 -47.14 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.9 m170 -62.17 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 6.3 mm-40 -62.37 -34.53 76.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.37 -46.5 86.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.19 -44.43 95.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -72.05 -40.47 68.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 51' ' ' MET . 8.8 mt-10 -74.33 -53.68 9.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -59.79 -33.91 72.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.3 ttp180 -70.17 -48.84 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.6 ptm -72.44 -45.85 57.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.32 -50.08 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.529 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 1.8 ptm -72.15 -42.77 65.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.3 -48.69 74.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -63.18 -60.61 3.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.17 -13.31 3.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 99.22 -20.61 49.33 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.8 p 49.65 7.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t 35.92 20.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 65.64 -50.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 1.8 mm-40 -53.43 -47.56 69.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 7.6 m-20 -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.72 -53.1 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -27.28 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -69.79 -49.61 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.27 -41.74 33.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.0 mt -40.14 -28.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' C ' ' A' ' 66' ' ' PHE . 21.3 mm-40 -53.14 -26.74 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.542 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.6 mt-30 -63.99 164.68 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.0 129.37 12.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -84.85 -151.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.97 2.17 84.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 74' ' ' MET . 8.2 m-20 62.8 -72.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 72' ' ' GLY . 22.9 ptm 177.55 165.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.0 t0 -110.32 -178.51 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.43 21.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -98.48 3.64 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.73 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -164.76 141.92 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 36.8 m-85 -119.5 158.64 25.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.36 139.47 57.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.027 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.108 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.34 -27.25 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.5 mp0 -61.75 -24.69 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.06 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.81 -39.03 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.836 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.3 -38.33 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 36.0 t -61.65 -45.33 94.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.711 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.83 -42.01 98.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -71.02 -34.63 71.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.89 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -65.58 -49.99 66.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -57.36 -47.71 80.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 87' ' ' ASN . 9.3 m -70.7 -19.96 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -83.74 -20.77 32.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.32 -42.1 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.89 HD11 HD13 ' A' ' 89' ' ' LEU . 1.4 pt? -90.23 170.48 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 171' ' ' LYS . 8.8 pt-20 -127.03 154.45 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.74 125.77 44.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.2 pp -136.22 159.57 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.759 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.23 141.64 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.512 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.6 t80 -93.31 -43.47 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.708 HD21 ' N ' ' A' ' 166' ' ' SER . 16.2 m-80 -31.62 -45.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.604 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.6 t -21.65 106.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.48 20.73 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.7 mt-10 -70.67 -47.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.688 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -69.53 -47.01 65.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -54.91 -47.1 74.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -64.72 -41.69 95.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.767 ' O ' ' HG2' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.41 -23.43 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 1.2 mmt-85 127.78 64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.688 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.04 117.82 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.453 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -107.5 153.93 41.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.703 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.03 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.567 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.09 -23.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 2.8 m-20 -57.45 -20.13 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.767 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -87.63 -174.12 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.966 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -120.38 -29.84 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.9 t -137.95 121.87 17.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.998 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -120.68 153.2 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 82' ' ' ILE . 1.3 mt -126.9 141.02 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.3 146.71 49.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.5 OUTLIER -130.01 125.89 36.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -110.78 108.28 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 53.95 -84.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -109.11 -68.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.349 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -63.68 144.86 56.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.592 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.836 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.7 p-90 -128.7 164.38 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -129.35 162.12 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.475 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -113.82 128.9 56.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 117' ' ' PHE . 18.9 t -109.21 127.41 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 129' ' ' ARG . 21.8 ttp-105 -123.83 136.74 54.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -80.73 104.02 10.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -98.57 122.29 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.456 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.2 -97.83 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -136.06 16.38 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.508 HE22 ' N ' ' A' ' 150' ' ' ASP . 7.9 mm100 -137.34 160.36 39.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.567 ' NE1' HG22 ' A' ' 112' ' ' ILE . 89.1 m95 -89.44 144.14 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.702 ' HE1' HD12 ' A' ' 147' ' ' LEU . 2.4 m-85 -134.2 124.41 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.41 137.85 38.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.96 131.19 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' H ' HD21 ' A' ' 142' ' ' LEU . 26.9 t-20 176.68 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.6 p 172.03 -29.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.559 ' CD2' ' CZ ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.4 -23.3 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -86.73 -2.34 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.82 25.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.52 -169.42 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HB2' ' CD2' ' A' ' 136' ' ' PHE . 18.2 Cg_endo -75.05 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.45 102.86 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.702 HD12 ' HE1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -62.2 125.28 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 153' ' ' LEU . 90.4 mt -118.4 119.93 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.44 154.18 36.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.508 ' N ' HE22 ' A' ' 134' ' ' GLN . 0.6 OUTLIER -58.73 -34.56 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.4 -9.76 58.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -96.89 -43.9 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 153' ' ' LEU . 1.1 tm? -54.37 -47.96 72.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.22 -39.44 94.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.856 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -64.5 -51.67 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.655 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -58.17 -34.51 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.5 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.618 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -61.33 -48.46 81.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.01 -36.39 82.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.2 mt-30 -62.73 -46.54 87.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.85 -28.49 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -29.42 61.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.31 -98.81 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.706 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 106.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.962 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.708 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -167.72 70.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.1 mt -134.25 136.99 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.108 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -122.26 127.65 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.998 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -91.9 120.92 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.628 HG13 HD12 ' A' ' 89' ' ' LEU . 4.4 t -90.11 111.25 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.558 ' HE3' HD11 ' A' ' 97' ' ' ILE . 11.9 ptpt -117.41 144.81 44.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 130.99 -153.81 20.5 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.74 ' O ' HD22 ' A' ' 94' ' ' LEU . 3.8 m-20 -92.75 119.36 32.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.966 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 1.6 tm? -108.41 125.64 31.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.575 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.96 157.12 43.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -93.14 151.33 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.06 -165.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 3.8 mm-40 -53.02 -42.54 65.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -55.6 -39.27 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.9 t70 -58.36 -35.11 71.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' A' ' 185' ' ' MET . 65.6 mt-30 -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 8' ' ' SER . 17.7 mt -61.77 -30.8 71.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.4 OUTLIER -57.01 -44.19 82.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.733 ' HB2' HD13 ' A' ' 183' ' ' LEU . 4.3 mt-30 -161.8 -68.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 181' ' ' GLN . 1.9 ttt -42.85 107.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.035 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.647 HD11 ' HD3' ' A' ' 2' ' ' PRO . 37.8 mm -90.3 158.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -55.03 23.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 59.1 t -43.36 118.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -177.53 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.731 ' HD3' HD11 ' A' ' 186' ' ' ILE . 18.2 Cg_endo -75.05 -171.28 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.24 -49.05 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.64 120.34 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 182' ' ' LEU . 26.3 p -74.99 -49.01 21.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.834 ' HA ' HD12 ' A' ' 9' ' ' ILE . 1.8 ttt -53.72 -13.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -53.84 -35.19 61.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.705 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -151.67 59.3 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -92.69 124.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 160.63 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.62 ' NE2' ' N ' ' A' ' 30' ' ' GLY . 10.1 t-160 -111.65 136.13 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -47.65 -101.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -79.8 124.53 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.591 ' OE1' ' ND1' ' A' ' 11' ' ' HIS . 5.7 tp60 -136.18 118.04 15.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -125.1 95.84 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' SER . . . 173.29 -73.06 0.1 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 33.64 37.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 0.719 . . . . 0.0 110.004 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -121.14 -52.02 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.681 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.5 m -115.06 174.36 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.93 -25.88 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 1.033 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.3 -25.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -61.74 -50.21 73.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.498 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 2.2 m -68.26 -39.67 82.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 85' ' ' ILE . 23.0 tp -61.94 -45.89 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.631 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 15.4 m120 -59.42 -44.72 92.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.533 ' OD1' ' OE1' ' A' ' 14' ' ' GLN . 2.2 m120 -72.09 -28.14 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -47.42 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -72.18 -24.44 61.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 tp-100 68.0 112.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.658 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 102.11 102.46 2.64 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -58.22 101.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 6.3 m-30 -116.9 -45.01 2.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CE1' ' ND2' ' A' ' 25' ' ' ASN . 2.8 p90 -100.99 154.96 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.546 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -106.75 -178.76 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.828 ' HB3' HD21 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.86 -41.82 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 5.1 mt-10 -58.26 -38.99 78.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.033 HD22 ' HB3' ' A' ' 21' ' ' GLN . 2.6 tp -59.56 -45.66 91.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -58.8 -46.32 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -33.65 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.0 -46.9 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.775 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.91 -47.91 76.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 39' ' ' SER . 12.6 m170 -61.79 -48.0 82.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.675 ' O ' ' N ' ' A' ' 48' ' ' GLU . 62.4 mt-30 -65.23 -33.79 76.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.42 -48.02 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -61.57 -45.13 95.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 mt-10 -74.0 -46.7 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.675 ' N ' ' O ' ' A' ' 44' ' ' GLN . 26.5 tt0 -68.43 -52.24 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.3 tp10 -59.53 -41.66 90.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.0 ttp180 -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.2 ptm -73.43 -42.63 61.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.8 tpp180 -59.42 -50.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 5.9 ptm -71.38 -42.11 68.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -64.63 -48.39 75.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.32 -32.02 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.51 -7.54 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 86.67 51.96 3.29 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.33 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.6 t 52.72 14.74 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 58' ' ' VAL . 7.4 t 77.13 -49.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -53.3 -47.43 69.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 49.8 m-20 -61.85 -33.3 73.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.53 -53.64 44.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.594 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.2 mmm180 -67.09 -27.2 67.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.96 -50.39 42.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.32 -44.52 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.5 mt -35.26 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 23.1 mm-40 -47.41 -22.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -76.32 164.45 59.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.02 132.23 15.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.6 p -102.59 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 90.08 12.32 62.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.2 m-20 64.76 -73.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.5 ptm 174.02 176.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -110.79 -176.72 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.51 13.74 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -87.99 -11.45 47.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 123.53 43.92 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -155.17 126.14 7.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.916 ' CD2' HD23 ' A' ' 38' ' ' LEU . 41.6 m-85 -102.22 159.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 1.023 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -67.39 147.93 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.043 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.1 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.55 -27.58 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.501 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.36 -25.03 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.023 HG22 ' O ' ' A' ' 81' ' ' SER . 4.8 m -61.17 -40.27 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.875 HG13 HD22 ' A' ' 24' ' ' LEU . 1.2 mp -62.37 -39.96 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -62.77 -43.6 98.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.909 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.0 m-80 -61.25 -39.84 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.6 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -72.61 -34.57 67.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.716 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.47 -50.24 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.17 -46.93 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.4 m -70.93 -21.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.9 m95 -82.95 -20.73 34.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.04 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.63 -39.71 1.83 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.923 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.55 169.21 11.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.4 pt-20 -131.71 155.12 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 168' ' ' PHE . 12.0 tp -124.9 136.58 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.635 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.5 pp -138.57 159.06 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.721 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.63 123.86 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' C ' ' A' ' 100' ' ' ASN . 58.3 t80 -72.39 -51.1 21.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 98' ' ' LEU . 24.9 m120 -23.74 -64.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.676 ' C ' ' O ' ' A' ' 100' ' ' ASN . 3.4 t -8.36 110.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -28.9 8.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.0 mt-10 -61.11 -46.7 89.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.587 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.9 m-85 -65.29 -46.54 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.8 -46.26 78.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -68.05 -32.69 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.735 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -69.68 -25.37 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.735 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 16.2 mtt180 133.28 57.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.587 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -127.0 117.77 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 1.4 m-20 -107.51 151.09 40.85 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.97 -33.42 4.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.65 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -82.06 -22.56 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 112' ' ' ILE . 2.3 t-20 -20.35 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 2.3 pt-20 -30.34 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -175.84 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 170' ' ' VAL . 21.3 t -124.21 120.02 31.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.043 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.15 158.1 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.821 HD12 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -127.94 148.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 5.1 t -127.48 145.84 50.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 166' ' ' SER . 1.6 t-20 -133.95 122.75 23.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -114.02 107.99 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.24 -90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -104.64 111.49 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.614 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.1 t-160 97.24 139.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.575 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.791 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 53.1 p-90 -128.92 165.0 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.032 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.95 158.67 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.52 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.55 135.93 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.043 HG21 ' CE2' ' A' ' 117' ' ' PHE . 15.6 t -123.63 130.68 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -131.58 143.82 50.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' CA ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -71.42 106.64 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.59 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 0.1 OUTLIER -92.3 117.87 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 131' ' ' LEU . . . 58.95 -95.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 7.5 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.807 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 131' ' ' LEU . 16.9 mm100 -124.52 159.71 29.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CD1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -94.18 113.9 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.644 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.2 m-85 -109.69 140.07 43.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -97.92 146.88 25.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.498 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -141.18 128.93 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.55 ' OD1' HD23 ' A' ' 141' ' ' LEU . 3.8 t-20 -174.83 -73.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 139' ' ' ASN . 0.4 OUTLIER 169.55 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.746 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.13 -20.11 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.746 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.1 -4.02 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.76 25.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 146.03 -175.18 25.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 156.56 33.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.619 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -102.1 123.69 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.629 HD11 ' OD1' ' A' ' 137' ' ' ASN . 19.9 mt -116.66 116.18 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 146.11 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.444 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -55.09 -30.66 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.5 t -83.64 -21.42 32.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -86.49 -46.61 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -54.08 -47.25 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.28 89.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.57 -38.82 90.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.866 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.99 -51.81 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.71 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -60.87 -34.51 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.71 95.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.609 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -63.97 -48.62 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.84 -32.64 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.1 mt-30 -66.27 -46.93 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.22 -25.78 62.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.77 -35.02 62.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.693 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.28 -96.17 0.1 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.693 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.56 109.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 111.047 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -165.97 68.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.968 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.3 mt -133.6 136.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -123.72 124.86 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.493 HG13 ' CZ ' ' A' ' 115' ' ' ARG . 1.2 t -96.13 122.02 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.643 HG22 HD13 ' A' ' 96' ' ' LEU . 10.5 t -86.83 110.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.635 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -116.77 138.09 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 136.42 -157.41 23.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.923 ' O ' HD22 ' A' ' 94' ' ' LEU . 30.1 t70 -85.12 119.11 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.576 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.6 tm? -104.38 126.4 31.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.576 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.03 152.16 40.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.7 161.99 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 179' ' ' ALA . 31.9 p -146.87 172.88 12.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.93 -42.23 65.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.59 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.584 ' HA ' HD23 ' A' ' 183' ' ' LEU . 32.5 t70 -58.36 -34.66 70.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.806 ' CD ' HG22 ' A' ' 188' ' ' VAL . 4.5 mt-30 -75.75 -41.02 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.705 HD11 ' O ' ' A' ' 8' ' ' SER . 19.6 mt -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 180' ' ' ASP . 0.3 OUTLIER -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.474 ' HG3' HD12 ' A' ' 183' ' ' LEU . 6.2 mt-30 -155.36 -71.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.448 ' O ' ' O ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -35.78 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.731 HD11 ' HD3' ' A' ' 2' ' ' PRO . 27.1 mm -96.23 164.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.8 OUTLIER 60.87 113.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.806 HG22 ' CD ' ' A' ' 181' ' ' GLN . 76.2 t -111.83 140.33 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -102.07 -23.62 14.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.801 ' CG ' HD11 ' A' ' 186' ' ' ILE . 18.2 Cg_endo -74.99 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.64 -47.44 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.76 118.09 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.66 ' O ' HD13 ' A' ' 182' ' ' LEU . 2.3 p -57.58 -48.93 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.872 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.2 mtt -55.54 -14.8 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.63 -24.59 49.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.819 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -139.51 43.88 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 6' ' ' MET . 2.1 mt -94.35 123.82 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' CG ' ' C ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 157.71 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -112.96 135.63 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.1 pt-20 -59.95 -140.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 9.9 mmtt 42.31 -127.97 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.6 pm0 -91.97 159.72 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -141.86 44.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -60.75 -137.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.427 1.079 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 22' ' ' HIS . 0.4 OUTLIER 162.6 92.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.804 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -138.4 -67.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.804 ' H ' HD23 ' A' ' 18' ' ' LEU . 77.5 m -115.51 173.81 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -54.68 -24.33 21.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.837 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.85 -45.82 20.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.582 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 7.5 m-70 -59.22 -44.17 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -42.81 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 85' ' ' ILE . 31.5 tp -64.38 -38.27 90.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' GLU . 12.3 m-20 -62.12 -44.56 96.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 5.6 m-20 -73.68 -32.68 64.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -69.32 -7.18 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.99 -9.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.24 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -160.87 161.42 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -71.52 -102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 66.88 28.79 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -155.19 141.61 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -110.64 172.41 3.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.458 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -23.34 13.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.81 -43.99 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.18 -48.55 81.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.837 HD12 ' HB2' ' A' ' 21' ' ' GLN . 4.7 mt -57.15 -34.51 68.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.629 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 21.4 t -68.18 -45.89 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -31.01 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.0 -47.55 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.718 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -56.5 -48.52 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 39' ' ' SER . 6.3 m170 -64.6 -46.74 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 48' ' ' GLU . 72.8 mt-30 -64.44 -33.99 77.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.65 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.15 -47.92 80.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 26.5 t70 -60.27 -44.86 94.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.98 -47.33 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 44' ' ' GLN . 3.3 tt0 -68.04 -51.43 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 tp10 -59.53 -42.53 92.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 12.2 ttp180 -59.18 -49.27 78.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.0 ptm -73.19 -43.54 61.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tpp180 -59.12 -50.58 73.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.512 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.1 ptm -70.76 -42.66 70.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.98 -48.8 75.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -79.27 -31.32 43.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -66.4 -7.55 40.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 87.24 50.19 3.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.899 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -40.25 -28.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 0.811 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.5 t 52.94 13.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 58' ' ' VAL . 5.6 t 77.9 -47.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.29 -47.49 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 10.3 m-20 -62.93 -32.92 74.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.899 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.26 -53.76 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.7 mmm-85 -67.26 -27.47 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.64 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.5 OUTLIER -79.46 -44.96 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 63' ' ' TYR . 12.0 mt -35.0 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.8 mm-40 -47.08 -22.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.614 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.1 mt-30 -74.52 160.56 80.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 m -133.21 -105.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 53.15 43.79 63.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 74' ' ' MET . 28.7 m-20 63.61 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.777 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 4.1 ptt? 178.67 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.747 ' N ' ' HG3' ' A' ' 74' ' ' MET . 0.6 OUTLIER -112.23 -175.42 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.93 -29.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.55 -42.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . -166.67 54.88 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.777 ' CZ ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -158.2 158.72 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CD2' ' CB ' ' A' ' 19' ' ' CYS . 32.4 m-85 -119.74 159.27 24.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.989 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.95 145.21 55.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.128 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.69 -28.98 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -62.98 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 81' ' ' SER . 3.2 m -61.14 -36.87 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.943 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.72 -42.63 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -59.01 -44.87 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 2.0 m-80 -61.27 -43.39 98.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.65 -32.16 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -67.6 -49.55 62.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 18.3 ptpt -57.05 -48.21 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 88' ' ' ALA . 16.9 m -68.7 -24.04 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.7 m95 -80.68 -21.0 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.24 -37.6 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 173' ' ' ASP . 1.2 pt? -90.65 170.83 9.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 171' ' ' LYS . 12.3 pt-20 -134.4 154.74 51.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 168' ' ' PHE . 13.5 tp -124.77 141.91 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 96' ' ' LEU . 1.1 pp -143.6 160.14 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -63.71 138.4 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.934 ' HB2' HG13 ' A' ' 169' ' ' VAL . 32.2 t80 -84.67 -50.74 7.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.71 ' HB2' HD12 ' A' ' 98' ' ' LEU . 7.6 m-20 -25.28 -57.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.673 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.5 t -8.88 102.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.16 20.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 mt-10 -72.15 -46.66 55.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.648 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.4 m-85 -68.12 -46.49 70.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.6 mt-30 -55.37 -46.53 76.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.38 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.737 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.34 -24.52 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.737 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptm180 131.14 60.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.648 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.85 119.92 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.534 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -106.7 154.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.3 Cg_endo -74.99 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.791 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -75.65 -23.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -60.27 -16.75 36.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.75 119.14 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -67.71 -8.46 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.505 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -165.68 110.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.1 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.24 158.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.91 HD12 HD11 ' A' ' 82' ' ' ILE . 2.6 mt -123.27 144.75 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -127.33 144.21 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.8 OUTLIER -131.92 124.62 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -114.09 108.34 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.2 mppt? 34.72 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tt0 -102.21 111.39 23.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.589 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.2 t-160 94.5 140.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.851 ' CH2' HD13 ' A' ' 85' ' ' ILE . 58.6 p-90 -128.87 165.02 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.614 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -128.51 159.39 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.48 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -111.81 132.5 54.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.1 HG21 ' CE2' ' A' ' 117' ' ' PHE . 23.6 t -114.76 121.76 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.424 ' NH1' ' HG ' ' A' ' 138' ' ' LEU . 1.0 OUTLIER -121.9 156.32 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.592 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.9 OUTLIER -86.23 123.44 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.941 HD12 ' HB2' ' A' ' 136' ' ' PHE . 11.0 mt -117.26 122.41 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 68.31 -101.05 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 19.97 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 13.4 mm100 -140.18 160.53 39.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 6.3 m95 -86.51 145.12 26.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.941 ' HB2' HD12 ' A' ' 131' ' ' LEU . 21.8 m-85 -145.78 136.51 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.778 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.2 p-10 -88.81 150.42 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' H ' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -148.51 139.67 23.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.447 ' H ' HD13 ' A' ' 138' ' ' LEU . 17.4 t30 177.01 -66.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 164.36 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.669 ' HG ' HD13 ' A' ' 142' ' ' LEU . 1.1 pp -68.56 -28.48 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -82.08 -3.57 54.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.44 22.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.462 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.702 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 152.78 174.75 23.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.4 Cg_endo -74.98 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -87.07 155.63 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.748 HD13 ' CZ ' ' A' ' 136' ' ' PHE . 28.2 tp -101.33 123.93 46.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.778 HD11 ' OD1' ' A' ' 137' ' ' ASN . 39.3 mt -115.02 123.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 148.06 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.473 ' O ' HG21 ' A' ' 112' ' ' ILE . 4.3 m-20 -55.15 -33.04 62.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.3 t -83.68 -24.01 31.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -82.52 -45.29 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 0.8 OUTLIER -54.08 -48.0 71.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.58 -43.8 88.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.67 -36.78 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.786 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.87 -51.7 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 160' ' ' LEU . 5.0 mt -58.51 -35.0 71.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.97 92.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.654 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -61.56 -48.37 81.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.9 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.92 -36.93 83.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 7.2 mt-30 -62.41 -46.4 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -70.9 -28.59 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.41 -30.09 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.59 -99.02 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.52 112.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -174.1 73.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.028 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.9 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.3 mt -134.81 137.0 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.128 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 144.56 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.934 HG13 ' HB2' ' A' ' 99' ' ' PHE . 35.2 m -112.07 131.59 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.637 HG12 HD12 ' A' ' 94' ' ' LEU . 2.7 t -93.45 110.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -120.87 135.74 55.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 137.93 -152.63 21.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.718 ' O ' HD22 ' A' ' 94' ' ' LEU . 58.2 m-20 -83.8 120.98 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.832 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -110.23 132.64 21.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.832 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.59 143.8 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 20.5 p -127.07 -167.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.82 -42.42 65.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.21 -39.27 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 13.4 t70 -58.44 -35.12 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -75.75 -35.12 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.819 HD11 ' O ' ' A' ' 8' ' ' SER . 69.0 mt -60.07 -46.03 90.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.874 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -61.35 -41.72 97.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.612 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -73.67 -142.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 186' ' ' ILE . 3.6 mtt -126.11 44.25 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 111.055 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.801 HD11 ' CG ' ' A' ' 2' ' ' PRO . 3.0 mm 54.13 171.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.515 ' H ' HG22 ' A' ' 186' ' ' ILE . 13.9 mtt-85 -139.34 -70.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 189' ' ' GLN . 7.6 p -143.43 -53.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . 0.495 ' N ' HG13 ' A' ' 188' ' ' VAL . 0.1 OUTLIER -166.79 -57.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.654 ' CA ' HD11 ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.58 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.787 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.98 -56.53 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -124.5 115.64 2.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.107 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 1.3 m -76.65 -48.96 17.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 11.3 mtt -51.32 -20.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 2.9 mt-10 -53.91 -34.36 59.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.806 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -145.42 58.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.1 mt -103.3 123.92 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.748 ' HE1' HD21 ' A' ' 138' ' ' LEU . 0.6 OUTLIER 156.63 -165.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 11.5 t60 -75.63 135.36 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' HB3' ' CG ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -58.18 -74.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 44.5 mttm -58.01 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.662 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -92.55 144.43 25.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 16' ' ' GLY . 6.8 mt-10 -99.67 -24.11 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 51.42 174.16 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.98 35.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -98.75 -66.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.727 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 29.4 p -115.85 173.97 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.2 -24.85 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -46.89 -38.99 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 139' ' ' ASN . 3.4 p-80 -54.07 -46.29 71.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 0.5 OUTLIER -66.46 -42.42 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.295 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 85' ' ' ILE . 11.7 tp -61.71 -43.02 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 21' ' ' GLN . 3.5 m120 -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 22' ' ' HIS . 1.3 m-20 -71.16 -26.81 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 ' OG ' ' A' ' 116' ' ' SER . 4.4 tp -72.04 -47.04 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 92' ' ' TRP . 41.0 mt -77.01 -32.56 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 177' ' ' CYS . 4.5 tm0? 59.14 102.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 167.23 -53.08 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.4 tt0 88.76 64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.5 m-85 -134.5 48.51 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.803 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.69 154.76 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.9 -179.93 1.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.03 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.94 -37.95 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -59.95 -44.52 94.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.02 -44.77 83.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -59.32 -46.0 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -67.25 -41.33 85.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -63.08 -47.97 90.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.43 -46.83 76.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 39' ' ' SER . 13.0 m170 -67.26 -44.69 78.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -64.96 -35.09 80.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.58 -43.93 83.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.68 -45.06 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.2 tp10 -73.97 -42.37 60.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.7 tt0 -69.61 -52.27 27.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.666 ' CG ' HD12 ' A' ' 45' ' ' LEU . 6.9 mm-40 -60.77 -39.49 89.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 17.7 ttt180 -62.19 -48.97 77.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.6 ptm -72.81 -47.57 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.5 ttt180 -56.99 -48.36 78.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.7 ptm -72.22 -42.51 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.07 -48.5 78.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.4 mm-40 -80.07 -53.8 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -41.67 -22.85 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 102.18 54.66 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.2 p -42.28 -27.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.822 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.5 t 52.9 14.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 58' ' ' VAL . 6.7 t 77.26 -47.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.57 -47.58 69.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 9.6 m-20 -61.66 -33.21 73.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.09 -53.55 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.4 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -50.4 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -79.02 -41.4 29.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 63' ' ' TYR . 11.2 mt -40.23 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' PHE . 41.2 mm-40 -53.75 -20.88 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.7 mm-40 -67.91 161.03 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.99 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -90.07 -161.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 97.95 -0.79 59.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 3.0 m120 62.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.514 ' SD ' ' HA ' ' A' ' 39' ' ' SER . 11.6 ptm 177.54 161.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.8 t70 -110.6 172.57 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -133.82 25.69 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 p -105.21 11.68 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.23 31.54 2.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -152.55 134.58 14.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 44.0 m-85 -119.59 160.36 22.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -66.49 145.84 55.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.101 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -66.3 -27.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.626 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -61.6 -26.92 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 4.3 m -61.26 -38.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.821 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.39 -36.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.464 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 31.9 t -64.81 -44.92 88.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -61.35 -39.43 90.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.803 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.95 -35.17 66.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.929 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.54 -50.75 57.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.56 -44.96 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.1 m -73.31 -20.15 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.7 m95 -82.4 -21.52 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.53 -48.46 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.23 170.85 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.87 157.94 36.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 170' ' ' VAL . 17.0 tp -124.64 132.59 53.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.644 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -140.56 158.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.98 130.74 44.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 167' ' ' ILE . 6.0 t80 -81.92 -38.03 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.877 ' HB2' HD23 ' A' ' 98' ' ' LEU . 10.2 m120 -33.64 -52.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -15.01 106.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.25 20.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 15.8 mt-10 -71.34 -46.84 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.706 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.1 m-85 -67.2 -46.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.3 mt-30 -55.49 -46.71 76.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -63.98 -40.32 96.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.1 mt -65.45 -24.61 67.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 10.8 mtt180 130.43 62.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.706 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -127.2 119.58 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.9 OUTLIER -106.79 153.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.465 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.1 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.766 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.15 -18.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.503 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.8 m-20 -66.09 -10.08 37.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.84 ' HG2' HG22 ' A' ' 169' ' ' VAL . 9.2 tp10 -91.36 150.48 21.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 130' ' ' LYS . 2.0 tmt_? -88.56 -26.22 22.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.435 ' OG ' HD11 ' A' ' 27' ' ' LEU . 12.2 t -149.71 113.45 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.058 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.095 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.7 154.79 28.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.646 ' N ' ' CD1' ' A' ' 117' ' ' PHE . 2.8 mt -127.74 144.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -126.57 147.03 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.5 t-20 -129.58 118.81 22.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.531 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.5 OUTLIER -114.04 107.85 16.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER 33.85 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 122' ' ' LYS . 3.3 tm-20 74.63 -86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -52.13 132.08 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 41.5 p-90 -129.21 164.8 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.673 ' CD2' HD23 ' A' ' 141' ' ' LEU . 1.3 m-85 -129.11 162.38 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.523 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.13 122.01 44.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.095 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.7 t -106.51 129.33 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 153.83 46.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.692 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.9 mptt -85.06 110.76 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -95.14 120.58 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 183' ' ' LEU . . . 57.78 -96.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 13.75 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.42 148.56 50.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.692 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 0.7 OUTLIER -75.17 128.64 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.004 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.9 m-85 -128.26 136.51 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.673 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -96.9 142.17 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.748 HD21 ' HE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -144.4 146.04 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 142' ' ' LEU . 11.1 t-20 166.17 -70.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.51 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.673 HD23 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.9 -23.06 64.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.68 -5.27 51.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.51 22.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.604 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 151.54 -163.14 29.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.452 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.99 97.65 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 142' ' ' LEU . 0.8 OUTLIER -84.72 125.6 32.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.555 ' CD2' ' CE1' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -80.34 124.58 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 137' ' ' ASN . 17.2 mt -123.3 123.86 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 147.82 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.554 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -55.41 -31.59 61.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.53 -12.86 55.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -99.57 -45.99 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.766 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.95 -48.87 69.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.18 -44.39 84.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.71 -36.78 81.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -63.99 -49.95 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.614 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.7 mt -60.4 -34.99 74.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.22 95.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -61.51 -48.36 81.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.885 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.93 -35.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.515 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.9 mt-30 -63.66 -46.66 84.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.29 -27.62 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.31 -33.53 67.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.691 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.86 -96.44 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.691 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.29 121.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 175.58 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.885 ' CG1' HD11 ' A' ' 160' ' ' LEU . 13.5 mt -134.86 128.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.101 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -116.47 122.3 44.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.1 t -95.45 125.96 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 96' ' ' LEU . 19.1 t -86.66 113.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.644 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -116.81 144.29 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 125.92 -156.6 19.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.563 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 3.2 m-20 -93.77 118.62 31.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -104.11 129.4 25.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.808 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 128.93 11.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 175' ' ' PRO . 22.9 p30 -51.26 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 29' ' ' GLN . 30.4 p -161.47 178.53 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mm-40 -53.33 -42.53 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.762 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.54 -38.21 68.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.813 ' O ' HD22 ' A' ' 183' ' ' LEU . 45.3 t0 -58.23 -34.94 70.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -39.57 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.806 HD11 ' O ' ' A' ' 8' ' ' SER . 11.9 mt -62.43 -30.47 71.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.95 -25.41 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -179.94 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.251 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 1.5 mtt -39.59 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.654 HD11 ' CA ' ' A' ' 1' ' ' GLY . 3.6 mp -81.32 -102.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 188' ' ' VAL . 5.1 ttt180 -50.72 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 187' ' ' ARG . 47.7 t -158.9 136.49 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -153.2 -60.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.888 ' HG3' HD11 ' A' ' 186' ' ' ILE . 18.1 Cg_endo -75.07 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.56 -51.77 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.45 97.99 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.765 ' O ' HD13 ' A' ' 182' ' ' LEU . 82.1 p -56.64 -36.81 69.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.709 ' HA ' HD12 ' A' ' 9' ' ' ILE . 9.6 mtt -55.46 -11.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 8' ' ' SER . 17.6 pt-20 -53.42 -38.84 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.638 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -142.66 48.3 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.76 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 3.1 mt -83.99 123.45 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.76 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 21.8 p90 164.31 -167.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.635 ' CD2' ' HG3' ' A' ' 12' ' ' GLU . 9.7 t-160 -112.88 132.91 55.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.635 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 1.2 pt-20 -41.26 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 3.1 ttmt -88.16 132.36 34.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -136.01 132.04 35.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.654 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.6 mt-10 -46.24 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.82 -132.04 1.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 79.9 p -164.95 96.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -137.68 -54.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.689 ' H ' HD23 ' A' ' 18' ' ' LEU . 74.6 m -115.31 174.05 6.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.762 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.24 -24.22 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' HB2' HD12 ' A' ' 38' ' ' LEU . 1.1 tm0? -46.53 -25.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -72.62 -42.94 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -71.3 -44.77 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 85' ' ' ILE . 27.6 tp -60.3 -45.97 91.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 1.5 m120 -60.53 -42.3 96.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -26.85 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 24' ' ' LEU . 7.5 tp -75.06 -47.4 29.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 48.9 73.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.769 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -165.16 -51.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 14' ' ' GLN . 6.1 tt0 84.49 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.769 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.6 m-85 -138.57 53.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -158.52 142.84 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.535 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -120.87 -180.0 0.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.96 -47.58 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.0 -36.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.4 mt-10 -67.24 -49.25 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 21' ' ' GLN . 2.6 mt -58.63 -42.76 89.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.494 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -61.52 -46.06 91.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.56 85.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -62.05 -47.89 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.077 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -57.41 -47.08 82.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.0 m170 -68.07 -40.23 82.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' A' ' 48' ' ' GLU . 20.5 mt-30 -70.03 -34.73 73.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.077 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -65.74 -47.42 75.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -60.79 -45.18 95.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.0 tt0 -73.69 -46.17 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.4 tt0 -67.01 -53.48 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.728 ' HG3' HD12 ' A' ' 45' ' ' LEU . 1.1 mm-40 -59.62 -39.77 85.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.9 ttp180 -61.64 -49.12 77.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 28.2 ptm -73.22 -45.99 52.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.11 -50.25 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 58' ' ' VAL . 4.0 ptm -71.03 -41.55 70.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.08 -48.88 72.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.1 mm-40 -65.02 -56.59 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.53 -12.19 4.49 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 98.02 -22.3 41.59 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.4 p 49.71 8.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.586 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER 36.99 19.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.36 -49.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 59' ' ' THR . 31.9 mm-40 -53.43 -47.97 69.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.44 -33.76 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.71 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -71.13 -53.29 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -66.7 -27.93 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -49.39 49.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -78.69 -38.37 39.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.3 mt -45.24 -23.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 29.1 mm-40 -61.9 -30.58 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.6 mt-30 -60.57 161.63 13.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.03 159.51 41.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -108.45 -141.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . 101.51 -10.29 57.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.643 ' O ' ' O ' ' A' ' 74' ' ' MET . 8.1 m-80 38.13 55.34 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.643 ' O ' ' O ' ' A' ' 73' ' ' ASN . 10.3 ptm 49.47 151.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 14.6 m-20 -110.65 -177.97 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.55 -22.03 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -54.58 -26.23 31.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 136.8 56.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.98 130.54 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 52.7 m-85 -104.59 159.09 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.972 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.25 146.63 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.032 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.84 -27.53 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.59 ' OE1' HG22 ' A' ' 82' ' ' ILE . 3.9 mp0 -62.21 -27.23 68.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 81' ' ' SER . 3.8 m -61.09 -40.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.979 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -61.31 -45.3 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -56.78 -45.28 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.613 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 2.5 m-80 -60.75 -38.34 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.36 -32.31 66.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.778 ' C ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.42 -50.91 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.709 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.72 -35.12 79.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' HE3' ' A' ' 90' ' ' LYS . 0.9 OUTLIER -76.42 -21.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 4.6 m95 -87.63 -21.11 25.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -35.96 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.778 ' O ' ' C ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -90.37 170.34 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.253 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 171' ' ' LYS . 3.6 pt-20 -133.19 152.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.92 HD11 ' CB ' ' A' ' 168' ' ' PHE . 10.6 tp -125.02 134.45 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.581 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.8 pp -136.54 159.41 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.761 HD23 ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -64.29 129.67 40.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 23.6 t80 -85.0 -43.62 13.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.657 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -35.67 -39.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.4 t -26.2 108.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.62 19.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.2 tt0 -72.38 -46.81 53.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.711 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.2 m-85 -66.9 -46.84 73.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.8 mt-30 -55.23 -46.72 76.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -63.84 -41.29 97.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -64.69 -24.55 67.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.8 mtt-85 130.08 63.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.711 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 119.12 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.74 154.19 40.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.98 -39.84 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -79.2 -26.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.0 m-20 -52.17 -20.35 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.504 ' CD ' HG13 ' A' ' 169' ' ' VAL . 7.2 tp10 -89.98 147.17 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -93.49 -5.58 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -163.07 113.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.172 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -121.47 158.56 28.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mt -121.97 143.37 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.566 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -127.49 139.94 52.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.287 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -131.55 124.51 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.617 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -114.13 108.01 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.03 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 35.8 -91.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.0 tt0 -103.43 111.06 23.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.5 t-160 96.47 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.578 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.815 ' CH2' HD13 ' A' ' 85' ' ' ILE . 47.1 p-90 -128.99 165.19 21.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 107.968 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.547 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.56 162.45 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.72 133.46 55.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.172 HG21 ' CE2' ' A' ' 117' ' ' PHE . 24.7 t -116.33 122.05 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -123.22 153.41 40.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 3.0 ttpt -85.48 105.3 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.624 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -90.2 122.35 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.843 ' O ' HD12 ' A' ' 183' ' ' LEU . . . 69.34 -78.88 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.78 23.76 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.497 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 17.8 mm100 -140.54 153.86 46.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.525 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -77.45 116.18 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 108.015 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.617 ' CE2' ' HE2' ' A' ' 6' ' ' MET . 3.4 m-30 -112.95 135.64 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.513 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -87.72 140.29 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 1.8 mt -148.61 144.19 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 140' ' ' SER . 11.1 t30 165.82 -59.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.5 OUTLIER 159.98 -25.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.719 HD23 HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -73.22 -25.17 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.719 HD13 HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -89.12 -4.61 58.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 47.48 24.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.663 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 147.32 178.8 22.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.62 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.09 123.95 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.602 ' HG ' ' CE1' ' A' ' 136' ' ' PHE . 0.4 OUTLIER -68.09 123.39 20.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 137' ' ' ASN . 15.5 mt -105.81 137.72 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.7 150.78 26.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -55.0 -40.69 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -84.12 -3.35 58.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.445 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -99.93 -49.61 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.23 70.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -66.13 -42.74 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.0 -37.03 85.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.706 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -63.65 -51.62 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.5 mt -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.95 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.714 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -61.7 -48.41 80.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.923 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -65.75 -35.54 81.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 8.0 mt-30 -64.89 -46.44 81.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.25 -25.24 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.67 -33.68 60.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.713 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.64 -97.82 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.713 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.87 108.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -173.75 77.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.923 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.9 mt -134.88 134.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.032 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -124.23 122.04 36.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -93.31 123.16 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.651 HG22 HD13 ' A' ' 96' ' ' LEU . 2.5 t -87.81 115.02 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.581 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -125.36 133.2 52.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 149.09 -145.8 14.51 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.703 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.5 m-20 -95.47 120.2 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.854 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.58 132.36 21.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.854 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -176.77 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.86 -151.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.1 pt-20 -52.93 -42.61 65.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -56.02 -41.77 75.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -58.36 -35.0 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 185' ' ' MET . 1.3 tt0 -74.42 -39.84 62.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 5' ' ' SER . 36.1 mt -65.23 -27.12 68.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 132' ' ' GLY . 3.4 tt -56.63 -39.22 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.812 ' HB2' HD23 ' A' ' 183' ' ' LEU . 0.2 OUTLIER 175.79 -45.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 1.6 ttm -60.19 79.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.888 HD11 ' HG3' ' A' ' 2' ' ' PRO . 38.8 mm -77.52 155.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 188' ' ' VAL . 0.0 OUTLIER 54.43 105.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 187' ' ' ARG . 3.0 m -151.35 -50.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -175.09 84.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.3 Cg_endo -75.01 -13.04 21.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 86.82 -59.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.93 132.18 4.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.702 ' O ' HD13 ' A' ' 182' ' ' LEU . 6.1 p -74.55 -48.49 26.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.785 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.87 -14.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.97 -21.69 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 182' ' ' LEU . 4.7 t -137.04 37.28 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 6' ' ' MET . 5.6 mt -90.6 139.17 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CD1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER 82.72 125.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.756 ' CE1' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -112.65 135.82 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -162.56 108.54 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.638 ' HD2' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -99.36 -55.51 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 4.1 pp0? -89.68 157.71 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 14' ' ' GLN . 4.8 mt-10 -96.25 134.35 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -170.05 30.04 0.14 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 22' ' ' HIS . 4.7 t -74.75 114.76 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.719 HD12 ' SG ' ' A' ' 19' ' ' CYS . 3.6 pp -174.62 -51.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' HD12 ' A' ' 18' ' ' LEU . 20.5 m -115.42 174.5 5.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 108.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.45 -24.37 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.82 -33.49 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 21.5 t60 -56.55 -48.57 77.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.77 -37.04 83.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.914 HD22 HG13 ' A' ' 85' ' ' ILE . 32.0 tp -62.71 -45.81 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.5 -44.92 92.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.66 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 2.0 t30 -70.94 -39.38 72.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.38 -45.43 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -76.3 -1.25 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 2.9 pt20 34.09 54.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.756 ' N ' ' CE1' ' A' ' 11' ' ' HIS . . . -171.18 -32.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' A' ' 13' ' ' LYS . 1.2 mt-10 77.23 -117.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.714 ' CE1' ' O ' ' A' ' 30' ' ' GLY . 1.8 m-85 64.28 28.56 13.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.821 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -140.78 154.86 46.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.449 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -128.12 175.66 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.041 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.03 -45.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.66 -41.17 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 18.3 mt-10 -58.64 -40.53 83.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 HG21 ' A' ' 84' ' ' VAL . 2.9 mt -58.47 -45.71 88.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -59.81 -45.97 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -67.39 -42.94 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.616 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.53 -45.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -58.73 -45.63 89.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' SER . 9.9 m170 -68.37 -42.77 78.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.12 -36.71 82.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -67.7 -43.28 80.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.8 tt0 -74.29 -34.73 63.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -77.2 -50.98 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.614 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.2 tp10 -62.52 -36.19 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.585 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 28.5 ttt180 -70.73 -48.73 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.571 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.7 ptm -72.76 -49.62 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -56.18 -47.27 78.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 58' ' ' VAL . 5.8 ptm -72.92 -40.19 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -66.94 -48.28 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' CG ' ' O ' ' A' ' 51' ' ' MET . 2.4 mm-40 -63.39 -58.17 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.45 -12.41 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' VAL . . . 97.42 -20.35 51.06 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.688 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.3 p 49.87 8.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER 37.57 19.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER 65.93 -50.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 59' ' ' THR . 7.7 mt-10 -53.24 -47.54 68.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.23 -33.79 67.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.688 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -70.53 -53.34 16.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.52 -27.78 68.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.3 -48.82 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -78.46 -42.66 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' TYR . 13.1 mt -39.8 -27.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.2 mm-40 -53.67 -36.55 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.619 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -60.92 164.13 8.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.09 131.01 13.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.6 p -95.56 -148.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 91.54 8.66 63.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.4 m-80 63.98 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.3 ptm 174.83 172.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 17.2 t0 -110.32 -177.05 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -149.94 24.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -105.95 10.06 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.76 41.9 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -166.32 138.68 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 39.4 m-85 -116.41 158.89 22.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.846 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.6 t -67.59 139.23 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -60.23 -27.03 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.812 ' HB3' HD21 ' A' ' 45' ' ' LEU . 29.9 mm-40 -61.65 -26.12 67.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.888 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.8 m -61.2 -39.58 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.914 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -63.32 -36.98 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 96' ' ' LEU . 40.6 t -65.17 -43.79 90.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -60.77 -41.05 94.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.25 -33.76 72.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -67.99 -49.29 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.7 ptmt -56.95 -46.35 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 87' ' ' ASN . 14.8 m -71.74 -22.64 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.01 -20.51 41.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.33 3.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.9 OUTLIER -90.73 170.13 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.03 155.66 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.62 125.96 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.67 158.77 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.2 148.08 52.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.863 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.3 t80 -94.79 -46.58 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.72 ' HB2' HD12 ' A' ' 98' ' ' LEU . 8.4 m-20 -29.2 -54.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.666 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -10.96 102.48 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 3.9 tt0 -73.57 -46.85 44.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.645 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.0 m-85 -67.86 -46.19 72.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.0 mt-30 -55.1 -46.4 75.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.83 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -66.54 -24.64 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.0 ptt180 131.71 60.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.645 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.82 119.28 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 1.4 m-20 -106.5 154.32 39.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -74.98 -36.39 2.59 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.53 -25.1 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.5 m-20 -60.15 -15.28 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -94.44 110.4 22.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.05 -33.14 64.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.74 114.77 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.148 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -123.68 155.24 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 96' ' ' LEU . 2.4 mt -126.33 143.14 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.495 ' SG ' ' CZ ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -127.28 146.36 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.6 OUTLIER -136.36 125.39 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.97 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 36.23 -90.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.604 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -103.85 111.87 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 6.9 t-160 96.25 138.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.794 ' CH2' HD13 ' A' ' 85' ' ' ILE . 45.2 p-90 -129.03 164.83 22.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.033 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.04 157.24 42.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.437 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -109.75 134.88 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.148 HG21 ' CE2' ' A' ' 117' ' ' PHE . 16.5 t -119.34 125.06 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.591 HH22 HD23 ' A' ' 131' ' ' LEU . 6.1 ptm180 -124.88 147.84 48.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -86.42 111.09 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.799 ' CD2' ' HB1' ' A' ' 179' ' ' ALA . 2.2 tm? -100.58 122.07 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.773 ' O ' HD23 ' A' ' 183' ' ' LEU . . . 69.67 -81.17 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' OE1' ' A' ' 134' ' ' GLN . 2.5 tttp -153.88 21.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 0.9 OUTLIER -135.36 159.8 40.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.551 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -96.86 119.83 36.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.81 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 1.4 m-85 -116.68 133.48 55.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -87.94 150.1 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.735 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -154.04 142.37 20.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 140' ' ' SER . 2.7 t30 169.41 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.2 t 155.36 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -73.33 -29.98 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.735 HD21 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -92.47 -5.09 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 44.47 26.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.435 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.584 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.48 -178.16 33.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 138' ' ' LEU . 18.4 Cg_endo -75.0 64.53 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.19 103.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.81 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 1.4 tp -57.84 134.2 56.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 137' ' ' ASN . 61.2 mt -113.5 148.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 156.31 17.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.551 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.6 OUTLIER -59.96 -38.97 84.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.9 t -83.51 -2.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.4 -50.8 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.618 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.1 tm? -54.0 -47.66 71.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.82 84.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -64.11 -39.25 93.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.911 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.09 -51.53 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -60.59 -34.34 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.03 87.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.619 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -65.8 -49.29 68.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.955 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.04 -35.43 81.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.1 mt-30 -64.36 -46.63 82.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -70.75 -25.69 63.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -76.23 -31.53 58.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.715 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.45 -97.36 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.52 114.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.009 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.573 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -177.35 70.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.955 ' CG1' HD11 ' A' ' 160' ' ' LEU . 18.3 mt -130.07 136.83 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -124.42 143.2 50.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 99' ' ' PHE . 25.3 m -111.45 122.92 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 94' ' ' LEU . 2.5 t -88.4 110.51 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.01 134.79 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 147.54 -149.0 21.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.67 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -91.06 119.89 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.909 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.4 OUTLIER -101.02 134.13 20.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.909 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -74.98 161.36 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.491 ' CG ' ' N ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -108.0 169.39 8.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 0.6 OUTLIER -172.2 -148.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 108.251 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 3.8 mm-40 -66.19 -39.17 89.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.799 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.31 -39.03 69.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.467 ' CB ' ' OD2' ' A' ' 176' ' ' ASP . 8.4 t70 -58.5 -39.96 81.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.596 ' HG3' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.12 -28.1 61.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 5' ' ' SER . 85.0 mt -72.05 -29.98 64.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 132' ' ' GLY . 1.4 tm? -57.04 -47.63 80.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -102.86 -93.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.72 ' HB3' HD13 ' A' ' 186' ' ' ILE . 53.9 mtt -128.57 -89.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.72 HD13 ' HB3' ' A' ' 185' ' ' MET . 0.1 OUTLIER -137.18 -124.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.59 109.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 9.4 p -162.22 126.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -155.24 -57.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 185' ' ' MET . 18.3 Cg_endo -75.04 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.86 -51.33 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.4 132.06 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.871 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.0 OUTLIER -74.98 -48.46 24.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.484 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 ttm -62.47 -5.3 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.15 -14.12 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.724 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.07 40.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 7.5 mt -94.03 123.68 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.605 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 4.1 p90 171.25 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.823 ' HE2' ' C ' ' A' ' 13' ' ' LYS . 1.4 t60 -111.91 135.27 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.08 -101.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.823 ' C ' ' HE2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -97.79 95.17 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.667 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -97.97 139.86 33.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.667 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -148.47 61.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' A' ' 14' ' ' GLN . . . 161.32 115.12 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 17.2 m -143.21 94.74 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.3 pt? -151.33 -46.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.703 ' H ' HD23 ' A' ' 18' ' ' LEU . 90.3 m -114.28 174.64 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.814 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.37 -23.96 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.823 ' OE1' HD23 ' A' ' 24' ' ' LEU . 7.0 tp-100 -46.45 -24.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 4.4 t60 -64.13 -55.98 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.551 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 1.4 m -60.54 -38.61 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.823 HD23 ' OE1' ' A' ' 21' ' ' GLN . 31.8 tp -60.92 -35.77 77.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 21.9 m120 -67.95 -45.16 75.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 62.1 t-20 -71.68 -31.84 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.5 -47.19 67.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.789 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -76.9 -1.88 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.631 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 54.2 tt0 98.68 -54.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.677 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -129.59 168.03 21.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -61.03 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-30 71.38 4.06 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -133.71 148.33 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.54 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -121.37 -179.31 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -74.98 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.82 -37.81 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 3.3 mt-10 -65.9 -42.0 90.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 ' CD2' ' A' ' 80' ' ' PHE . 5.1 tp -64.52 -43.86 92.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.488 ' OG ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.36 -45.55 87.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -68.3 -38.37 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.63 -47.79 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.02 -47.07 87.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.548 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 19.8 m170 -64.57 -47.78 77.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -61.86 -34.49 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -65.52 -44.61 86.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 8.1 t70 -60.43 -44.19 96.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 51' ' ' MET . 74.2 mt-10 -73.29 -47.07 45.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.9 tt0 -68.97 -51.7 36.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.2 tt0 -59.78 -39.59 85.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 ttt180 -62.09 -48.98 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.3 ptm -72.36 -44.42 62.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 51' ' ' MET . 3.1 tpp180 -60.66 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.2 ptm -72.4 -41.14 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.01 -48.84 72.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -77.65 -53.11 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.75 -20.31 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 95.97 58.73 1.09 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.912 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.6 p -50.92 -22.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.9 t 51.65 15.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.4 t 79.53 -43.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.77 -47.34 70.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.903 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -61.18 -32.93 72.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.912 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.45 -53.61 22.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.1 mtp180 -66.9 -27.32 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -49.7 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.45 -44.88 23.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.6 mt -36.44 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 14.6 mm-40 -51.01 -20.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.585 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.2 mt-30 -73.0 158.82 86.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.2 Cg_endo -75.01 -161.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -60.3 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' PRO . . . -59.91 -24.39 60.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.846 ' O ' ' HB3' ' A' ' 74' ' ' MET . 2.1 m120 -50.11 -62.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.846 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 20.3 ptm 123.64 165.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.598 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 19.2 t0 -110.61 -176.25 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -143.61 27.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 t -114.93 12.56 16.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.489 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 105.84 42.99 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -164.42 129.33 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.743 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.2 m-85 -104.44 156.98 17.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.787 ' O ' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -67.42 139.66 57.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -56.16 -27.39 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.565 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 31.2 mm-40 -62.09 -24.97 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.048 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.5 m -60.52 -42.89 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.837 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.58 -44.46 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 48.1 t -56.75 -45.26 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.882 HD21 HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -61.47 -38.05 85.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -73.06 -36.9 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 96' ' ' LEU . 4.1 mt -65.46 -50.39 65.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.16 -46.96 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 87' ' ' ASN . 6.4 m -71.54 -19.78 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.789 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -83.92 -20.59 32.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.059 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.22 -38.99 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.974 HD12 HG23 ' A' ' 170' ' ' VAL . 0.5 OUTLIER -90.53 170.39 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 171' ' ' LYS . 7.6 pt-20 -125.53 149.8 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.59 125.53 44.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.653 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.4 pp -136.15 158.25 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.43 148.34 51.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.967 ' HB2' HG13 ' A' ' 169' ' ' VAL . 26.5 t80 -96.53 -43.49 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.707 ' OD1' ' CE2' ' A' ' 165' ' ' TYR . 0.8 OUTLIER -29.58 -49.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.639 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.0 t -17.19 103.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.04 -16.54 20.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 18.5 mt-10 -71.75 -47.14 55.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.72 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.8 m-85 -67.42 -46.98 71.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.7 mt-30 -55.33 -47.13 76.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 6.7 mtp180 -63.1 -41.59 99.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.743 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.5 mt -64.73 -24.53 67.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.743 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 1.2 ptt180 129.73 63.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.72 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.97 122.62 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.95 155.64 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.562 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.03 -37.08 2.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.727 HG22 HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -82.18 -18.78 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 5.8 m-20 -75.5 64.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HG2' ' HB ' ' A' ' 169' ' ' VAL . 0.8 OUTLIER -166.2 169.4 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.612 ' HG3' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -84.13 -38.4 20.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.612 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 1.7 t -157.1 138.13 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.131 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -117.24 154.52 31.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.939 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -122.97 145.06 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -127.36 141.4 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.99 123.46 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.587 ' CD1' ' HE3' ' A' ' 122' ' ' LYS . 1.4 t80 -113.44 109.17 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.587 ' HE3' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER 59.34 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -113.93 -72.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 140.44 54.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -128.85 164.96 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.671 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.5 m-85 -128.82 161.74 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.601 HG23 HD13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -116.08 122.65 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.131 HG21 ' CE2' ' A' ' 117' ' ' PHE . 21.6 t -105.46 127.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.26 140.04 52.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.684 ' CD ' ' CE3' ' A' ' 135' ' ' TRP . 6.6 mmtp -84.43 113.65 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.004 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.6 OUTLIER -107.08 122.21 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' HD23 ' A' ' 183' ' ' LEU . . . 63.85 -107.22 1.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 2.84 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 134' ' ' GLN . 6.8 mm100 -117.73 152.54 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.684 ' CE3' ' CD ' ' A' ' 130' ' ' LYS . 1.8 m95 -97.97 126.44 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 4.1 m-85 -122.36 136.79 54.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -88.48 146.91 24.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.584 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -138.5 131.7 30.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.628 ' HB3' HD11 ' A' ' 142' ' ' LEU . 3.3 t-20 179.84 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.9 t 178.31 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.5 OUTLIER -68.67 -19.25 64.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.691 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -94.1 -3.3 51.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 45.93 26.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.578 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 147.57 -169.0 28.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.489 ' HG3' HG22 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.99 82.01 2.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.66 117.23 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -68.23 123.51 20.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 153' ' ' LEU . 76.8 mt -124.03 113.86 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.66 148.24 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.436 ' HA ' ' NE1' ' A' ' 135' ' ' TRP . 1.6 m-20 -54.96 -32.49 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.2 t -83.64 -20.51 33.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.18 -42.72 13.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.727 HD12 HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.23 -48.03 71.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.34 -45.51 79.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -61.69 -41.08 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.914 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -60.53 -48.02 83.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.1 OUTLIER -61.58 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.32 85.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.616 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -67.11 -48.28 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.939 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -65.37 -35.22 80.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 167' ' ' ILE . 4.1 mt-30 -63.23 -46.94 84.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.48 -26.44 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -75.9 -29.26 58.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.723 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.11 -100.2 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.723 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 158.94 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 174.86 78.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.939 ' CG1' HD11 ' A' ' 160' ' ' LEU . 6.1 mt -135.32 132.95 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.075 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.09 147.3 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.967 HG13 ' HB2' ' A' ' 99' ' ' PHE . 26.3 m -124.28 120.56 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.974 HG23 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.61 110.18 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -111.51 144.8 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 138.32 -145.92 17.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.915 ' O ' HD22 ' A' ' 94' ' ' LEU . 14.4 t0 -103.42 120.6 41.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.0 OUTLIER -96.4 132.81 25.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.768 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 175' ' ' PRO . 4.8 m-20 -43.36 166.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.504 ' CB ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 p -162.37 170.08 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.602 ' OE2' ' CE1' ' A' ' 10' ' ' PHE . 2.0 pt-20 -52.97 -42.86 65.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 1.004 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -59.54 -39.26 83.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.441 ' O ' HD12 ' A' ' 183' ' ' LEU . 4.2 t70 -58.13 -34.79 70.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.532 ' CD ' HG12 ' A' ' 188' ' ' VAL . 49.1 mm-40 -74.69 -43.93 52.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 5' ' ' SER . 45.7 mt -54.7 -38.51 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -57.27 -33.64 67.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.981 ' N ' HD13 ' A' ' 183' ' ' LEU . 5.0 tt0 -87.84 -145.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.51 ' C ' HD13 ' A' ' 186' ' ' ILE . 4.2 mpp? -141.89 115.26 8.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 185' ' ' MET . 0.2 OUTLIER 38.04 -146.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.407 ' N ' HG12 ' A' ' 186' ' ' ILE . 5.5 ttp180 56.78 58.72 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.532 HG12 ' CD ' ' A' ' 181' ' ' GLN . 15.2 m -128.69 -171.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -131.63 -50.12 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.2 Cg_endo -75.03 -16.3 20.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER 84.23 -49.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.89 113.1 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 182' ' ' LEU . 3.8 p -76.12 -48.72 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.757 ' HA ' HD12 ' A' ' 9' ' ' ILE . 28.2 mtp -67.22 -3.36 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.99 -11.94 60.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HD11 ' A' ' 182' ' ' LEU . 4.9 t -154.19 37.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.6 mt -87.53 123.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 158.31 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 5.8 t60 -83.31 135.84 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -64.36 -74.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HB2' ' NE2' ' A' ' 11' ' ' HIS . 25.3 mttm -56.88 -124.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -90.1 159.99 16.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -134.8 90.4 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.604 ' O ' ' CD2' ' A' ' 22' ' ' HIS . . . -41.1 168.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 70.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD11 ' SG ' ' A' ' 19' ' ' CYS . 1.2 pp -157.49 -54.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 18' ' ' LEU . 1.6 p -116.32 173.88 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 108.319 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -60.94 -24.35 65.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.676 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -46.54 -29.82 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 16' ' ' GLY . 1.3 t-80 -57.99 -53.89 53.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.655 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -63.11 -37.71 88.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 89' ' ' LEU . 15.0 tp -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 21.5 m120 -60.5 -42.2 95.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -74.72 -35.72 62.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' CYS . 1.8 tp -68.08 -45.66 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 92' ' ' TRP . 38.6 mt -74.86 -1.52 22.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER 77.51 -47.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.641 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -118.6 136.15 11.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.474 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -53.56 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.295 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 69.5 34.06 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.77 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -158.8 154.15 25.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.58 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -131.55 -177.33 0.67 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.62 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -74.99 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -55.91 -37.65 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 4.7 mt-10 -64.74 -42.26 95.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 80' ' ' PHE . 1.6 tp -64.34 -42.47 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.487 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.74 -45.77 88.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.77 -45.56 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.942 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -60.74 -47.28 87.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 16.2 m170 -68.51 -42.24 78.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.633 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.35 -47.06 85.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.818 HD22 ' OD1' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -62.21 -38.53 89.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 7.1 t70 -60.19 -44.9 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 51' ' ' MET . 18.1 mt-10 -73.64 -42.43 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -72.46 -52.35 16.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.662 ' HB3' HD12 ' A' ' 45' ' ' LEU . 1.1 pp20? -59.47 -39.13 82.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.5 ttm180 -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.3 mtm -71.38 -51.44 24.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.81 -45.97 81.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 3.5 ptm -72.42 -42.41 65.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -68.13 -48.66 64.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.2 pp20? -74.1 -34.41 63.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -72.56 -8.16 70.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.576 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 95.08 -31.6 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.947 HG23 ' HB3' ' A' ' 62' ' ' ASP . 3.0 p 48.67 11.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.09 22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER 63.89 -50.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 59' ' ' THR . 11.6 mt-10 -53.49 -47.79 69.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.947 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -56.2 -33.38 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.85 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -64.91 -53.73 41.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.2 mmt85 -67.61 -26.92 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -50.47 48.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.25 -41.0 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.644 HD11 ' CD2' ' A' ' 63' ' ' TYR . 11.2 mt -39.93 -27.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' N ' ' C ' ' A' ' 66' ' ' PHE . 22.3 mm-40 -54.17 -33.91 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.508 ' CD ' HD23 ' A' ' 98' ' ' LEU . 2.4 mt-30 -64.56 162.07 38.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.06 152.37 40.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -115.13 -101.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 43.29 43.24 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' C ' ' HG2' ' A' ' 74' ' ' MET . 2.8 m120 64.05 -68.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.639 ' SD ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 ptm 172.75 -82.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 19.3 p-10 -83.05 -175.62 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -167.36 -31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 t -141.37 -66.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.65 59.42 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -168.92 161.51 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.757 ' CD2' HD23 ' A' ' 38' ' ' LEU . 64.3 m-85 -120.0 159.45 24.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.89 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -67.39 149.34 50.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.116 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -64.15 -27.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.808 ' HB3' HD21 ' A' ' 45' ' ' LEU . 40.9 mm-40 -61.62 -25.87 67.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.9 m -60.84 -40.7 86.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.819 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -62.73 -44.34 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 6.4 t -55.93 -45.38 78.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.969 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.46 -41.07 96.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.24 -36.59 69.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.692 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.4 mt -67.43 -49.28 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -57.04 -46.71 82.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -72.97 -20.01 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.72 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -82.2 -20.97 36.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.22 -42.48 1.39 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.41 166.51 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.9 pt-20 -122.35 156.38 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.147 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 169' ' ' VAL . 0.0 OUTLIER -124.89 125.87 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.511 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -133.1 159.44 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.848 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.63 146.28 54.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.911 ' HB2' HG13 ' A' ' 169' ' ' VAL . 33.8 t80 -91.75 -51.08 5.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.694 ' O ' ' C ' ' A' ' 101' ' ' SER . 32.2 m120 -23.85 -65.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.732 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 2.2 t -2.56 104.85 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -14.53 21.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.0 mt-10 -72.26 -46.34 56.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.658 ' O ' HD13 ' A' ' 109' ' ' ILE . 2.1 m-85 -70.12 -46.84 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 101' ' ' SER . 83.8 mm-40 -53.87 -47.5 70.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -35.14 70.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -62.5 -25.29 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 4.3 ptt180 130.68 53.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.5 mp -126.92 120.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.41 154.65 39.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.744 ' CB ' HD12 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.97 -33.19 4.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.605 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.76 -23.44 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -68.38 -9.29 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.611 ' HG3' HG12 ' A' ' 169' ' ' VAL . 64.0 mm-40 -87.81 113.07 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 116' ' ' SER . 0.2 OUTLIER -60.39 -19.95 57.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -156.77 112.0 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.122 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -115.33 157.61 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.693 HD12 HD11 ' A' ' 82' ' ' ILE . 6.2 mt -128.22 140.49 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 0.3 OUTLIER -122.01 146.72 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.588 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -129.37 121.51 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -113.95 107.79 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER 32.96 86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 77.9 -84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -54.83 133.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.819 ' CH2' HD13 ' A' ' 85' ' ' ILE . 56.5 p-90 -129.37 165.37 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -128.49 161.44 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.14 128.05 55.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.122 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.2 t -114.3 121.19 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.495 ' NH2' ' CD2' ' A' ' 138' ' ' LEU . 16.2 ptt180 -120.76 152.42 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -94.94 126.56 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.97 HD11 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -115.59 121.37 42.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 183' ' ' LEU . . . 69.05 -89.87 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.39 22.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.496 ' CB ' ' CE1' ' A' ' 136' ' ' PHE . 8.7 mm100 -132.63 159.38 39.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 6.8 m95 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 147' ' ' LEU . 5.5 m-85 -131.75 134.24 45.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.556 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -90.85 145.5 24.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.495 ' CD2' ' NH2' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -143.07 139.19 30.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.569 ' H ' HD21 ' A' ' 142' ' ' LEU . 10.9 t30 172.08 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.422 ' OG ' ' ND2' ' A' ' 139' ' ' ASN . 20.1 p 172.19 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -69.08 -22.26 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -91.81 -3.62 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.29 26.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.351 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.601 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.47 -165.11 27.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 93.87 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.88 112.3 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 0.6 OUTLIER -67.36 123.22 19.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.623 HG22 ' HB2' ' A' ' 153' ' ' LEU . 43.2 mt -117.75 116.01 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.39 146.02 36.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.52 ' O ' HG21 ' A' ' 112' ' ' ILE . 3.9 m-20 -55.06 -31.69 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.74 -23.03 31.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -85.02 -45.73 11.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HB2' HG22 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -54.0 -48.04 70.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -65.69 -43.85 87.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.31 -36.72 83.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.78 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.52 -51.56 59.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.744 HD12 ' CB ' ' A' ' 111' ' ' PRO . 10.4 mt -58.28 -34.89 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.41 87.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.8 OUTLIER -59.9 -48.5 81.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.92 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.62 -37.13 82.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -61.51 -46.63 89.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -70.97 -29.01 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -72.76 -28.96 62.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.86 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.699 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.27 108.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.4 OUTLIER -166.37 69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.995 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.92 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.0 mt -134.92 136.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.116 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.55 141.71 51.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.911 HG13 ' HB2' ' A' ' 99' ' ' PHE . 34.0 m -108.87 124.57 65.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.568 HG12 HD12 ' A' ' 94' ' ' LEU . 3.8 t -86.96 110.24 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -115.05 141.23 48.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 135.03 -151.98 20.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -94.7 118.8 32.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -102.19 132.28 21.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.99 -168.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -135.43 159.13 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.51 -171.77 3.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 2.7 mm-40 -52.67 -37.98 59.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.97 ' HB1' HD11 ' A' ' 131' ' ' LEU . . . -55.6 -33.61 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.408 ' HA ' HD23 ' A' ' 183' ' ' LEU . 7.9 t70 -58.58 -40.72 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -80.02 -25.21 40.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 179' ' ' ALA . 86.2 mt -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.521 ' HB2' ' CA ' ' A' ' 132' ' ' GLY . 0.6 OUTLIER -62.13 -44.94 95.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 185' ' ' MET . 0.9 OUTLIER -153.96 -79.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.512 ' C ' ' O ' ' A' ' 184' ' ' GLN . 4.7 ttt -26.76 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' ' 187' ' ' ARG . 3.5 mp -85.46 -102.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.588 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.0 OUTLIER 57.68 91.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.02 116.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -174.45 76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 18.3 Cg_endo -74.95 -17.36 19.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER 86.44 -51.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.02 98.28 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 182' ' ' LEU . 54.3 p -60.82 -33.57 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.781 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.9 mtt -53.39 -9.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 5' ' ' SER . 16.2 pt-20 -52.9 -47.74 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.643 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -130.49 54.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.054 HD13 HD21 ' A' ' 131' ' ' LEU . 10.9 mt -103.21 123.19 56.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.714 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 166.24 -139.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.703 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -81.92 135.54 35.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' OE2' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -72.25 -29.28 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -113.54 -102.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.5 pm0 -89.77 153.78 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.46 63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . -58.78 -155.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t 163.33 121.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.047 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp -177.85 -66.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.942 ' N ' HD12 ' A' ' 18' ' ' LEU . 83.9 m -116.01 173.61 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -51.38 -25.5 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.677 ' HB2' HD22 ' A' ' 38' ' ' LEU . 3.1 tt0 -47.75 -33.55 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 t60 -54.69 -51.23 66.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 m -65.68 -37.33 86.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD22 HG13 ' A' ' 85' ' ' ILE . 34.8 tp -62.39 -45.68 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' CB ' ' NE2' ' A' ' 11' ' ' HIS . 30.9 m120 -60.02 -43.84 94.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.592 ' OD1' ' CG ' ' A' ' 11' ' ' HIS . 59.2 m-80 -71.7 -38.43 70.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.852 HD12 ' CD ' ' A' ' 129' ' ' ARG . 3.8 tp -65.39 -43.45 90.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.82 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.2 mp -74.81 -13.29 60.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 29' ' ' GLN . 1.2 tm0? 67.59 100.91 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . 118.92 -88.05 0.43 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER 156.45 -94.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 52.1 41.69 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.681 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.75 143.73 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.041 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.479 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -119.02 174.08 3.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.604 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.01 -46.09 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -55.96 -41.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.8 mt-10 -59.95 -41.61 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 80' ' ' PHE . 2.5 tp -59.93 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -58.2 -46.05 86.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -67.81 -32.94 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -68.72 -48.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.996 ' HA ' HD12 ' A' ' 45' ' ' LEU . . . -58.03 -41.52 83.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' SER . 16.4 m170 -68.96 -41.66 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -70.98 -47.14 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.81 -36.03 82.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 19.9 m-20 -65.52 -44.82 85.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -47.31 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -63.65 -46.24 86.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -65.39 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 7.5 ttp180 -71.31 -47.48 56.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.536 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 26.9 ptm -71.98 -48.65 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -58.1 -46.67 85.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.562 ' N ' ' CD ' ' A' ' 52' ' ' ARG . 5.6 ptm -72.54 -39.03 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.45 -48.65 66.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -71.08 -30.61 66.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.19 -3.95 88.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.11 -32.05 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.743 HG11 ' CD2' ' A' ' 63' ' ' TYR . 1.5 p 49.73 8.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.3 t 37.31 19.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.4 OUTLIER 65.99 -51.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.044 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 59' ' ' THR . 9.1 mt-10 -53.2 -47.96 68.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 2.6 m-20 -56.86 -33.08 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.743 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -69.79 -53.41 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -66.08 -30.18 70.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -70.34 -50.29 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -78.99 -28.23 43.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 63' ' ' TYR . 8.5 mt -55.12 -9.74 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 66' ' ' PHE . 60.3 mm-40 -89.51 -1.84 58.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.633 ' HG2' HD23 ' A' ' 98' ' ' LEU . 8.0 mt-30 -88.53 -49.36 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -75.06 -171.77 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -37.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' MET . . . -156.06 37.84 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 81' ' ' SER . 82.7 m-20 60.07 -85.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.477 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 19.9 ptm -172.83 157.09 3.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.47 178.69 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -141.16 18.14 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -96.98 -0.35 47.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.504 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 127.49 40.87 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.7 128.48 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.684 ' CD2' HD23 ' A' ' 38' ' ' LEU . 29.4 m-85 -110.07 158.57 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.861 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.4 OUTLIER -67.78 139.73 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.162 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -61.78 -27.41 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.555 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -61.88 -25.67 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.995 HG12 ' HB2' ' A' ' 42' ' ' ALA . 3.7 m -60.88 -39.11 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.868 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.3 -44.12 94.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 11.3 t -56.1 -45.57 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.817 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -64.37 -38.28 90.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.681 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.63 -35.5 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.876 HD13 ' CD1' ' A' ' 94' ' ' LEU . 2.0 mt -67.81 -50.11 58.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.29 -45.19 84.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 87' ' ' ASN . 12.0 m -72.29 -22.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.82 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.4 m95 -81.8 -20.44 39.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.26 -38.09 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.55 169.73 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.5 pt-20 -126.93 153.36 45.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.678 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.5 125.78 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.61 158.85 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -65.24 133.98 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 111' ' ' PRO . 40.1 t80 -86.79 -44.02 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.4 OUTLIER -31.71 -48.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.634 ' C ' ' O ' ' A' ' 100' ' ' ASN . 1.4 t -16.63 104.35 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.41 14.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.6 mt-10 -64.26 -46.73 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.657 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.5 m-85 -68.13 -46.52 70.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -55.54 -47.11 76.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -65.1 -40.05 94.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.2 -24.94 67.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.9 OUTLIER 129.85 60.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.657 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.85 118.47 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.604 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.08 154.35 40.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.0 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.781 HG22 HD23 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -77.36 -19.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.604 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -64.39 -16.89 63.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.605 ' HG3' HG22 ' A' ' 169' ' ' VAL . 4.0 mm-40 -89.39 -178.14 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -112.78 -30.8 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.35 131.48 24.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.029 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -131.71 151.95 51.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.782 HD12 HD11 ' A' ' 82' ' ' ILE . 2.1 mt -124.62 142.31 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 144.56 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.7 OUTLIER -134.93 125.53 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.66 108.33 16.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER 36.28 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -103.61 112.06 24.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 5.9 t-160 95.25 138.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.842 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.6 p-90 -128.86 165.22 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 141' ' ' LEU . 0.7 OUTLIER -128.49 161.48 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -114.25 140.09 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.379 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.029 HG21 ' CE2' ' A' ' 117' ' ' PHE . 20.6 t -125.74 128.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.852 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.93 150.23 51.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.599 ' HG3' ' CZ3' ' A' ' 135' ' ' TRP . 0.2 OUTLIER -73.17 111.76 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 9' ' ' ILE . 1.2 tp -108.27 121.94 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.474 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 69.76 -100.26 0.74 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.4 14.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 0.8 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 134' ' ' GLN . 1.7 mm100 -141.28 160.47 40.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CZ3' ' HG3' ' A' ' 130' ' ' LYS . 2.6 m95 -84.63 136.49 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.634 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 9.3 m-85 -132.87 140.03 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.673 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -91.53 149.65 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -144.24 134.53 24.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.607 ' H ' HD21 ' A' ' 142' ' ' LEU . 25.9 t30 174.81 -72.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.1 t 174.54 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.779 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.6 OUTLIER -68.47 -23.84 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.779 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -91.37 -2.85 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.05 27.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 144.43 -168.05 26.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -54.34 146.05 16.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.19 123.45 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 137' ' ' ASN . 34.0 mt -121.2 125.09 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 151.33 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m-20 -55.85 -34.81 65.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.57 -15.98 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -90.52 -43.22 10.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.781 HD23 HG22 ' A' ' 112' ' ' ILE . 24.0 tp -54.04 -48.43 70.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.75 -44.43 85.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.95 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.99 -35.47 78.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.792 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.82 -48.85 70.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.834 HD12 ' HB3' ' A' ' 111' ' ' PRO . 7.1 mt -60.74 -35.07 75.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.77 88.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.658 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -59.94 -48.43 81.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.977 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.64 -35.13 79.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.4 mt-30 -64.07 -46.88 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.33 -26.67 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.54 -33.67 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.5 -96.6 0.1 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.714 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.47 111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.7 OUTLIER -175.27 76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.977 ' CG1' HD11 ' A' ' 160' ' ' LEU . 8.5 mt -134.73 132.33 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.162 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -124.05 117.91 25.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 114' ' ' GLU . 0.9 OUTLIER -88.24 123.13 40.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.74 120.71 36.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.36 133.8 51.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 142.52 -157.46 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.931 ' O ' HD22 ' A' ' 94' ' ' LEU . 2.9 m-20 -86.96 119.51 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.834 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -102.24 132.42 21.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.834 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.95 -179.53 5.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.23 143.8 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 -166.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.64 -37.8 59.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.96 -38.12 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.32 -34.91 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 185' ' ' MET . 75.8 mt-30 -75.52 -39.89 57.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.643 HD11 ' O ' ' A' ' 8' ' ' SER . 16.6 mt -61.75 -30.83 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.584 HD22 ' O ' ' A' ' 183' ' ' LEU . 0.8 OUTLIER -56.62 -45.46 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 186' ' ' ILE . 2.9 mt-30 -145.79 -56.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.484 ' CB ' ' HA ' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -53.54 85.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 182' ' ' LEU . 28.0 mm -109.71 158.81 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -110.26 162.79 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 71.0 t -70.35 -63.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -159.85 101.24 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.2 -63.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.19 130.8 5.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.519 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -75.46 -48.88 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.799 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -55.4 -9.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 5' ' ' SER . 5.0 mm-40 -64.89 -10.1 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -167.16 41.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 6' ' ' MET . 13.9 mt -87.14 123.61 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 156.89 -162.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.681 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 4.5 t60 -101.84 135.64 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -75.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 3.8 mttt -55.15 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.681 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -128.7 151.3 49.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' C ' ' HB3' ' A' ' 22' ' ' HIS . 2.5 pm0 -116.49 166.56 11.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -33.59 122.91 0.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.5 m -157.04 -77.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.842 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -73.19 -65.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 4.7 p -115.66 155.42 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.98 -24.54 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.917 ' HB2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.7 -37.22 8.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.64 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 1.3 m-70 -54.9 -56.88 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.45 -33.83 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 85' ' ' ILE . 9.8 tp -67.52 -38.67 84.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLN . 24.1 m-20 -61.45 -44.98 96.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' CG ' ' HB2' ' A' ' 11' ' ' HIS . 62.0 t30 -63.59 -44.07 95.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 24' ' ' LEU . 1.4 tp -63.04 -39.45 94.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' ' CE3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.2 -32.75 70.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 27.6 tt0 150.14 -65.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -142.11 -178.13 17.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HG3' ' CD ' ' A' ' 14' ' ' GLN . 4.7 tt0 -76.4 97.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -132.4 38.18 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' HB3' ' HG3' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -159.29 154.57 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.63 170.37 5.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.552 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.0 Cg_endo -75.04 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.84 -37.1 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 1.7 mt-10 -60.18 -44.08 95.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 21' ' ' GLN . 4.3 mt -57.25 -42.12 80.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -62.98 -45.74 90.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.99 -35.43 76.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -70.95 -47.64 61.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.067 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.25 -47.34 75.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.1 m170 -68.01 -38.09 82.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 42.7 mt-30 -71.96 -34.7 69.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.067 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -68.4 -46.64 69.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.4 t0 -61.0 -44.88 96.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' MET . 14.3 tt0 -74.01 -46.43 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -66.3 -53.67 33.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 45' ' ' LEU . 3.9 mm-40 -59.69 -41.22 90.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 6.8 ttp180 -60.3 -49.14 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.577 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 27.1 ptm -73.11 -39.79 65.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -61.24 -51.06 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.694 ' HE2' HG21 ' A' ' 58' ' ' VAL . 9.4 ptm -72.31 -37.38 68.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -69.62 -48.51 59.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -71.67 -32.11 67.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . -79.34 -5.68 89.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 93.19 -27.53 11.38 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.719 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 p 48.48 10.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.622 ' O ' ' N ' ' A' ' 61' ' ' GLU . 1.3 t 35.35 20.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.719 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER 63.43 -50.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -53.13 -47.8 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -56.26 -33.22 65.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.666 ' CD2' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.99 -53.34 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -28.49 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -70.13 -48.95 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG3' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.56 -36.3 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 12.8 mt -46.29 -22.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 66' ' ' PHE . 27.0 mm-40 -61.47 -31.02 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 66' ' ' PHE . 2.1 mt-30 -58.86 161.79 8.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.04 131.74 14.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.2 p -91.14 -152.74 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 98.22 -0.7 58.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 87.4 m-20 62.98 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.665 ' CE ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 ppp? -178.62 158.04 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.472 ' O ' ' SD ' ' A' ' 74' ' ' MET . 36.9 t0 -110.93 164.82 12.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.25 -1.36 12.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 p -75.23 -8.33 56.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LEU . . . 121.15 42.28 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -152.49 134.22 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.665 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 77.7 m-85 -119.45 160.36 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.964 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.26 139.75 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.19 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -63.86 -26.85 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.32 -24.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' SER . 8.0 m -61.32 -37.59 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.867 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -68.18 -37.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 22.8 t -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 4.0 m-80 -65.34 -40.33 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -71.03 -35.05 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.962 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.78 -50.59 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.58 -43.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.0 m -75.65 -20.13 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 2.3 m95 -84.98 -21.15 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.66 -52.62 0.75 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.039 ' H ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -89.59 171.1 9.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 159.76 32.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.222 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.59 125.6 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.631 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -132.6 158.95 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.86 138.83 58.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' O ' ' C ' ' A' ' 100' ' ' ASN . 25.8 t80 -90.07 -47.09 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.656 ' OD1' ' CD1' ' A' ' 165' ' ' TYR . 0.5 OUTLIER -27.65 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -21.79 106.73 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.02 -14.88 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.03 -46.89 55.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.64 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.7 m-85 -68.02 -46.79 70.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -54.98 -47.0 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -64.63 -40.97 96.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -63.27 -25.08 68.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER 129.76 64.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.345 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.64 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.9 117.48 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.478 ' CB ' ' CG ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -107.77 153.58 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.88 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.01 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.86 -18.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.478 ' CG ' ' CB ' ' A' ' 110' ' ' ASP . 7.8 m-20 -59.98 -15.05 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 2.2 tp10 -94.95 -176.93 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' A' ' 172' ' ' GLY . 0.0 OUTLIER -122.5 -11.14 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.47 114.39 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.742 ' CZ ' ' HA ' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -113.99 158.24 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.671 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -128.64 133.48 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 24.2 m -120.91 147.64 45.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 0.9 OUTLIER -129.34 118.0 21.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -113.93 108.11 16.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 36.83 87.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 2.3 mp0 71.85 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -53.76 133.79 42.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.823 ' CH2' HD13 ' A' ' 85' ' ' ILE . 35.1 p-90 -129.18 164.46 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' HD22 ' A' ' 141' ' ' LEU . 32.7 m-85 -130.28 162.36 29.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.1 133.7 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 117' ' ' PHE . 5.8 t -113.5 127.45 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.534 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 1.8 ttp85 -123.56 157.35 33.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 17.1 pttt -85.44 128.93 34.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.802 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -111.44 92.52 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.618 ' HA2' HD13 ' A' ' 183' ' ' LEU . . . 69.5 -82.97 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.99 19.73 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.467 ' CB ' HD22 ' A' ' 147' ' ' LEU . 25.8 mm100 -141.24 131.66 25.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.673 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -82.95 131.75 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.006 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.972 ' HB3' HD23 ' A' ' 147' ' ' LEU . 6.2 p90 -135.17 138.04 43.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.448 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -73.98 147.4 43.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.743 HD23 ' CE2' ' A' ' 136' ' ' PHE . 0.2 OUTLIER -142.37 137.77 30.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.512 ' H ' HD13 ' A' ' 138' ' ' LEU . 1.2 t30 169.34 -74.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 0.8 OUTLIER 159.83 31.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.699 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -103.85 -28.38 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.877 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -103.05 1.67 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.47 21.36 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.854 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -179.48 158.73 22.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.448 ' HB2' ' HE3' ' A' ' 6' ' ' MET . 18.4 Cg_endo -74.96 88.74 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.71 115.5 27.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 136' ' ' PHE . 34.6 mt -68.38 131.89 46.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 135' ' ' TRP . 87.1 mt -106.48 113.92 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.25 144.1 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 1.5 m-20 -55.21 -31.89 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.63 -16.75 43.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -90.39 -42.63 10.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.647 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -54.18 -48.32 71.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.538 ' HB2' ' HG2' ' A' ' 111' ' ' PRO . . . -65.95 -45.93 79.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.55 -35.63 78.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.844 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -66.23 -48.6 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.88 HD12 ' HB3' ' A' ' 111' ' ' PRO . 9.8 mt -59.44 -36.51 76.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.69 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.622 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -59.84 -48.56 81.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -67.76 -38.58 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.4 mt-30 -62.27 -45.8 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 159' ' ' GLN . 5.8 pt20 -71.09 -28.37 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.42 -29.01 61.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.89 -98.56 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.26 117.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 177.73 73.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.903 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -135.15 138.31 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.19 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 137.43 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.61 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -106.24 127.17 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 89' ' ' LEU . 4.6 t -89.56 119.88 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.631 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.25 142.78 51.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.545 ' O ' ' NH2' ' A' ' 115' ' ' ARG . . . 131.57 -159.2 23.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.4 t70 -89.59 118.6 29.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.77 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -105.11 133.81 19.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.77 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -124.83 160.43 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 17.7 p -146.33 -170.5 3.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 0.6 OUTLIER -62.79 -42.54 99.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.59 80.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.71 -35.03 72.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 185' ' ' MET . 61.9 mt-30 -71.67 -43.41 66.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 8' ' ' SER . 29.4 mt -60.47 -33.9 73.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.1 OUTLIER -56.97 -48.15 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.662 ' HG3' HD12 ' A' ' 183' ' ' LEU . 27.9 mt-30 -161.31 -70.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.432 ' HG2' HG21 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -36.75 117.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.455 HG22 ' CD ' ' A' ' 187' ' ' ARG . 3.0 mp -105.45 -95.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.455 ' CD ' HG22 ' A' ' 186' ' ' ILE . 0.0 OUTLIER -87.67 82.83 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 185' ' ' MET . 5.3 m -145.75 65.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -179.7 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.47 -51.55 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.19 119.97 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.487 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.3 OUTLIER -72.2 -48.67 41.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.739 ' HG3' HD12 ' A' ' 9' ' ' ILE . 8.1 mtt -52.57 -16.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.13 -25.88 14.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.545 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -157.81 52.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.739 HD12 ' HG3' ' A' ' 6' ' ' MET . 6.3 mt -90.03 123.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 165.1 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.618 ' CD2' ' HG3' ' A' ' 12' ' ' GLU . 9.1 t-160 -112.99 135.5 53.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.618 ' HG3' ' CD2' ' A' ' 11' ' ' HIS . 1.2 pt-20 -40.56 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -87.0 124.82 33.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.511 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 4.7 tp60 -135.84 118.03 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -36.87 -74.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . -160.12 -95.45 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.082 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 2.5 p 158.38 93.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.9 pp -126.42 -52.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' N ' HD12 ' A' ' 18' ' ' LEU . 26.6 p -115.49 173.87 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.751 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.66 -24.59 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -46.82 -34.16 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 23' ' ' CYS . 4.6 p-80 -61.98 -46.54 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.542 ' HG ' ' C ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.11 -38.97 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD22 HG13 ' A' ' 85' ' ' ILE . 25.9 tp -60.21 -46.37 89.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' OE1' ' A' ' 14' ' ' GLN . 5.6 m-20 -61.19 -41.81 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' OD1' ' OE1' ' A' ' 14' ' ' GLN . 79.5 m-20 -71.93 -25.61 61.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -75.16 -47.67 27.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 21.9 mt -77.56 -20.43 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 29' ' ' GLN . 3.5 tt0 66.63 72.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 159.12 119.64 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -74.63 82.24 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.688 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.3 m-85 -129.93 45.05 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.901 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -159.0 153.0 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -129.6 -179.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.628 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.2 Cg_endo -75.0 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -35.92 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 5.9 mt-10 -59.4 -49.67 76.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 84' ' ' VAL . 9.0 mt -57.54 -42.19 82.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 14.7 t -60.82 -45.56 93.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -33.17 71.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.75 -48.51 57.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.915 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -57.01 -47.98 79.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 14.1 m170 -60.68 -48.16 83.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 16.1 mt-30 -65.06 -34.27 78.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.648 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.06 -48.42 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.03 -39.77 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 51' ' ' MET . 13.1 mt-10 -70.62 -47.75 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -73.49 -48.83 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' ' CZ ' ' A' ' 66' ' ' PHE . 20.0 tt0 -59.43 -35.88 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 14.6 ttt180 -71.19 -46.78 60.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.489 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 15.9 mtm -71.47 -51.47 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 ptm -72.9 -41.2 64.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.86 -48.82 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -78.11 -55.67 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -42.06 -22.51 0.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 97.19 58.85 1.0 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.916 HG21 ' HD1' ' A' ' 63' ' ' TYR . 2.5 p -50.7 -21.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.5 t 50.87 15.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.6 t 79.93 -43.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.43 -47.09 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.9 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -62.32 -33.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.916 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.37 -53.33 30.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -67.05 -27.47 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -50.03 44.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.65 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -78.91 -44.19 23.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 63' ' ' TYR . 10.0 mt -35.46 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 66' ' ' PHE . 26.1 mm-40 -49.01 -22.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.551 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.2 mt-30 -75.33 161.47 76.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.0 t -138.32 -131.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 82.28 33.84 24.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 76.8 m-20 64.37 -74.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -165.22 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.658 ' CB ' ' O ' ' A' ' 79' ' ' PHE . 38.9 p-10 -109.59 157.91 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -136.34 8.58 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.2 -36.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.658 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -67.44 159.42 29.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.628 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 63.8 m-85 -120.28 160.65 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 1.01 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.7 p -66.47 139.79 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.132 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -58.56 -26.59 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.623 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 1.1 mp0 -60.98 -27.8 68.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 81' ' ' SER . 8.4 m -61.39 -36.39 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.874 HG13 HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -67.16 -42.67 88.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.0 t -58.13 -44.85 88.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.697 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.0 OUTLIER -63.5 -41.48 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -70.89 -37.13 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.29 -49.34 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -56.51 -44.64 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 87' ' ' ASN . 16.2 m -74.82 -20.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.643 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 2.1 m95 -81.35 -21.06 39.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.7 -45.0 1.15 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.869 HD12 HG12 ' A' ' 170' ' ' VAL . 1.6 pt? -90.47 166.99 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.472 ' HG2' ' HG3' ' A' ' 171' ' ' LYS . 18.5 pm0 -122.34 155.63 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.4 126.32 45.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.9 pp -136.65 159.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.884 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.64 135.19 55.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' O ' ' C ' ' A' ' 100' ' ' ASN . 13.9 t80 -87.32 -45.19 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.72 ' ND2' HD11 ' A' ' 98' ' ' LEU . 10.3 m-20 -27.88 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 2.0 t -23.38 107.07 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.49 20.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 12.9 mt-10 -68.93 -47.01 66.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.676 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.18 -46.82 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.44 -46.47 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -66.54 -38.46 87.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.744 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.34 -24.94 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt-85 131.38 60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.676 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.7 117.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -107.51 153.94 41.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.815 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.4 Cg_endo -74.96 -40.58 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.621 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -80.7 -19.12 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 7.4 m-20 -63.36 -12.82 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' CZ3' ' A' ' 135' ' ' TRP . 1.3 tp10 -96.35 175.25 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.663 ' CZ ' HD12 ' A' ' 174' ' ' LEU . 0.2 OUTLIER -115.11 -22.13 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.76 114.38 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.748 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.2 OUTLIER -118.02 141.75 48.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -117.92 135.8 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 167' ' ' ILE . 0.8 OUTLIER -126.91 147.26 50.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -131.46 126.53 35.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.89 108.1 16.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.98 -89.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.5 tt0 -108.08 112.75 25.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.0 t-160 97.0 141.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.837 ' CH2' HD13 ' A' ' 85' ' ' ILE . 39.9 p-90 -128.96 164.88 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.685 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -128.85 152.82 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.626 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -107.88 126.72 53.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.588 HG22 ' ND2' ' A' ' 137' ' ' ASN . 8.9 t -107.78 121.56 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.473 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -116.34 151.53 35.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -80.18 123.62 28.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.674 HD22 ' CE2' ' A' ' 136' ' ' PHE . 1.3 tt -115.75 122.11 44.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.76 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 51.71 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 15.04 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -135.31 137.6 42.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.621 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 5.7 m95 -73.0 124.8 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.674 ' CE2' HD22 ' A' ' 131' ' ' LEU . 3.7 m-85 -115.41 138.48 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.588 ' ND2' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER -94.07 144.09 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.542 ' C ' ' HG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -140.94 127.54 20.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 126' ' ' PHE . 10.0 t-20 175.68 -67.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.1 p 165.06 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -68.52 -19.31 64.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.01 -2.97 55.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 48.19 24.23 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 146.95 -176.18 25.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.44 4.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -46.78 158.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' ' 136' ' ' PHE . 0.8 OUTLIER -102.29 124.01 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 153' ' ' LEU . 41.7 mt -114.39 112.78 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.28 149.71 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.537 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -55.02 -33.56 62.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.1 t -83.92 -17.48 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.467 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -85.16 -44.83 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.654 ' O ' HD22 ' A' ' 157' ' ' LEU . 1.3 tm? -53.86 -48.27 70.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.32 -42.42 88.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.87 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.04 -40.19 94.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.87 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -61.75 -52.08 65.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.991 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.66 -32.43 70.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 162' ' ' GLN . . . -69.89 -34.52 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.628 ' NE2' HD21 ' A' ' 155' ' ' LEU . 1.2 mm-40 -68.91 -50.53 48.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 1.121 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -67.86 -32.14 72.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 1.026 ' N ' HD13 ' A' ' 160' ' ' LEU . 1.9 mt-30 -63.62 -46.57 85.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 158' ' ' ALA . 1.7 mp0 -71.43 -30.28 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 2.1 mm-40 -70.0 -39.48 75.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.633 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -171.73 -96.22 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.06 130.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.703 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.1 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 1.121 HD11 HD11 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -112.19 139.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.132 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -124.42 119.52 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.748 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -86.07 122.41 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 94' ' ' LEU . 3.2 t -90.74 111.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 95' ' ' GLU . 4.5 ptpt -117.8 144.92 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 128.58 -150.08 18.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.59 ' O ' HD22 ' A' ' 94' ' ' LEU . 13.0 t0 -97.15 119.04 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.743 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.0 tm? -111.86 127.29 27.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.743 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -74.97 119.97 5.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -45.31 165.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 3.9 t -127.02 169.89 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.474 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.1 mt-10 -52.91 -42.48 65.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.412 ' HA ' HD23 ' A' ' 183' ' ' LEU . 12.9 t70 -58.28 -34.71 70.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.29 -37.99 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.85 -30.34 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.76 HD22 ' HA2' ' A' ' 132' ' ' GLY . 0.4 OUTLIER -56.95 -46.41 82.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.16 -146.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.07 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 187' ' ' ARG . 2.9 mp -87.77 -102.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.501 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.4 OUTLIER 50.12 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 31.7 m -41.24 136.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -159.26 -58.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.18 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.77 -60.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.42 119.09 3.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER -76.19 -48.93 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 9' ' ' ILE . 31.6 mtp -52.93 -18.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.7 -34.31 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.591 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -147.98 58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.9 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.8 mt -96.13 122.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.9 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER 156.56 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.726 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 3.5 t-80 -112.92 131.78 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.687 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 0.6 OUTLIER -38.05 -98.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.726 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 39.34 -161.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.806 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -108.76 134.13 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -99.83 57.56 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.82 -29.4 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.19 56.85 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.3 pp -123.74 -59.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 p -116.33 174.09 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -56.42 -24.93 48.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.929 ' OE1' HD23 ' A' ' 24' ' ' LEU . 31.0 tp60 -46.84 -26.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -62.78 -49.1 76.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.536 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' LEU . 1.3 m -70.72 -31.96 68.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD22 HG13 ' A' ' 85' ' ' ILE . 48.5 tp -65.16 -46.14 82.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -63.52 -43.66 96.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.42 -24.91 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 116' ' ' SER . 6.4 tp -74.39 -47.48 33.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.682 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -69.1 -32.69 72.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 80.45 18.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.788 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -149.49 121.17 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.644 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -76.66 92.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.249 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.788 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 4.1 m-85 -144.12 43.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.07 154.79 26.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -130.12 -178.9 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.019 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.645 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.0 -48.25 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.76 -36.67 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 2.5 mt-10 -62.75 -43.96 97.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 3.7 mt -57.38 -39.15 75.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.611 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -66.02 -45.66 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.7 p -68.27 -31.74 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -71.06 -49.29 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.4 -48.12 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 39' ' ' SER . 8.9 m170 -63.09 -48.02 80.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 17.8 mt-30 -61.84 -34.59 76.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -62.85 -48.0 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.77 -41.83 91.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -73.47 -43.61 59.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.2 OUTLIER -70.02 -53.5 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.4 mp0 -59.77 -39.14 83.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 23.8 ttt180 -61.87 -49.94 74.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.7 ptm -73.73 -43.91 57.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -56.61 -51.72 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 28.6 mtp -72.92 -50.99 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -55.57 -48.8 74.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' C ' ' N ' ' A' ' 57' ' ' GLY . 2.5 mt-10 -78.82 -56.51 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -44.12 -19.25 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 96.5 56.62 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.005 HG23 ' HB3' ' A' ' 62' ' ' ASP . 7.7 p -49.48 -22.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 0.714 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.3 t 51.54 13.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.371 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 58' ' ' VAL . 0.7 OUTLIER 80.76 -44.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -47.44 70.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 1.005 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.902 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -66.57 -53.32 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -27.34 68.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -49.77 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.48 -43.08 27.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.4 mt -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 16.4 mm-40 -48.69 -23.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-30 -72.15 160.75 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 83' ' ' GLN . 18.3 Cg_endo -74.99 131.9 14.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -97.79 -154.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 96.64 6.54 58.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.84 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.8 ptm 175.69 -172.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -93.72 -176.1 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -81.4 -59.32 2.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 78.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.74 -36.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -145.84 148.4 32.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 80.4 m-85 -119.65 157.95 27.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.975 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.3 t -67.45 150.57 48.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.038 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.27 -26.95 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.364 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 4.9 mt-30 -61.87 -26.75 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.975 HG22 ' O ' ' A' ' 81' ' ' SER . 4.7 m -60.62 -37.48 75.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.93 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -65.81 -36.48 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 30.6 t -64.52 -45.22 88.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.653 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -62.2 -39.52 93.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.81 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.33 -35.53 68.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.999 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -66.67 -50.05 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 13.5 ptmt -57.17 -46.76 82.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.4 m -72.52 -19.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.682 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.1 m95 -82.79 -21.13 34.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.82 -45.3 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.2 171.02 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.2 pt-20 -128.61 154.72 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 HG22 ' A' ' 170' ' ' VAL . 20.2 tp -125.14 130.84 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 169' ' ' VAL . 2.6 pp -134.18 159.47 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.692 HD11 ' OD1' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.35 139.83 58.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.948 ' HB2' HG13 ' A' ' 169' ' ' VAL . 18.4 t80 -89.04 -47.55 8.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.692 ' OD1' HD11 ' A' ' 98' ' ' LEU . 26.2 m120 -24.94 -49.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 t -21.6 104.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.03 20.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.5 mt-10 -72.16 -46.86 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.736 ' HB3' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.43 -47.54 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.685 ' HA ' HG22 ' A' ' 109' ' ' ILE . 1.3 mt-30 -55.16 -46.49 75.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -70.1 -30.94 68.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -67.99 -26.28 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 8.1 ptt-85 133.37 55.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -127.54 121.09 56.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -107.19 154.72 40.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.96 -34.18 4.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.545 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.78 -29.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 5.7 m-20 -50.04 -23.69 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 4.6 mm-40 -94.21 134.15 36.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.1 OUTLIER -86.2 -5.74 59.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -147.14 103.9 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.953 ' CE1' HG12 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -114.44 158.27 21.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mt -128.73 139.41 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.43 143.87 51.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -132.24 124.98 30.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.602 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.93 108.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER 37.76 -90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 3.6 tt0 -106.21 112.18 25.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.623 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 8.8 t-160 98.28 139.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.813 ' CH2' HD13 ' A' ' 85' ' ' ILE . 44.5 p-90 -129.2 164.59 23.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.743 ' CD1' HD21 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -129.24 155.21 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -108.22 123.53 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 117' ' ' PHE . 16.9 t -105.35 121.93 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.443 ' HE ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.25 160.57 26.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 4.9 ttpt -91.64 127.87 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.728 HD13 HG21 ' A' ' 9' ' ' ILE . 31.3 mt -119.17 122.21 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 183' ' ' LEU . . . 69.38 -87.15 0.25 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -149.32 22.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -140.87 160.69 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 130' ' ' LYS . 5.7 m95 -84.94 143.39 29.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 107.985 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.673 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 13.2 m-85 -143.77 136.41 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 148' ' ' ILE . 1.6 p-10 -93.48 147.33 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HA ' HD21 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -151.09 145.8 25.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 140' ' ' SER . 5.8 t30 175.51 -51.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.3 m 153.38 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.826 ' HG ' HD13 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -76.99 -30.03 55.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.826 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -84.1 -8.33 59.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 49.66 22.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.668 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 157.69 174.44 27.39 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -74.96 84.39 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.18 158.1 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 136' ' ' PHE . 1.3 mt -102.17 124.49 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.737 HD11 ' OD1' ' A' ' 137' ' ' ASN . 42.5 mt -119.81 114.97 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 145.12 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 112' ' ' ILE . 4.8 m-20 -54.69 -32.49 59.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.3 t -83.93 -19.61 34.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -87.26 -43.37 12.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.8 OUTLIER -54.04 -47.9 71.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.493 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.66 -44.22 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.07 -38.15 90.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.875 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.58 -51.92 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -58.26 -34.61 70.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.64 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.595 ' NE2' HD21 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.11 -48.34 82.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.943 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -68.11 -32.68 73.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 3.7 mt-30 -66.42 -46.52 76.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.78 -28.88 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -73.22 -33.25 65.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.712 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -167.88 -98.26 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.144 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.712 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 157.29 112.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.045 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -174.08 70.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.943 ' CG1' HD11 ' A' ' 160' ' ' LEU . 9.7 mt -133.72 137.36 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.038 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -124.51 143.12 50.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.953 HG12 ' CE1' ' A' ' 117' ' ' PHE . 28.1 m -109.98 132.34 58.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.866 HG13 HD12 ' A' ' 89' ' ' LEU . 17.3 t -93.11 110.09 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.0 ptpt -113.06 144.92 41.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 121.77 -162.47 15.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 22.9 t0 -86.58 118.62 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.866 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.7 tm? -105.43 129.89 23.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.866 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.02 117.08 4.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.7 OUTLIER -60.88 152.0 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 7.7 p -116.71 -170.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.21 -35.38 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.69 -33.8 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 183' ' ' LEU . 0.0 OUTLIER -58.15 -35.86 72.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.7 OUTLIER -79.04 -37.68 38.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 179' ' ' ALA . 12.3 mt -62.98 -27.26 69.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -56.52 -29.32 61.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.54 ' N ' HD23 ' A' ' 183' ' ' LEU . 6.4 mt-30 -171.58 -63.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -33.23 151.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 184' ' ' GLN . 3.7 mp -140.21 -78.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 189' ' ' GLN . 0.4 OUTLIER -51.27 -51.98 49.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 189' ' ' GLN . 10.8 t 64.53 -77.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . 0.467 ' N ' HG12 ' A' ' 188' ' ' VAL . 0.3 OUTLIER -135.26 -63.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.548 ' H3 ' ' C ' ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.679 ' HD2' HD13 ' A' ' 186' ' ' ILE . 18.1 Cg_endo -75.04 -176.87 3.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -99.25 -45.66 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.6 116.17 2.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -56.86 -33.02 66.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 145' ' ' PRO . 11.6 mtt -51.89 -15.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' SER . 44.0 mm-40 -66.98 -46.88 73.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -125.76 56.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.834 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -105.59 123.03 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.9 p90 160.78 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.065 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -112.95 134.73 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.556 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 3.7 pt-20 -62.58 -140.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER 40.39 -136.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.504 ' O ' ' NE2' ' A' ' 11' ' ' HIS . 1.6 pm0 -89.87 159.41 16.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.08 54.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.89 -174.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.46 59.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.941 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -118.87 -55.54 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.537 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 4.0 p -115.79 173.7 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -61.14 -24.88 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.897 HE21 HD23 ' A' ' 24' ' ' LEU . 1.3 tm0? -47.52 -31.53 4.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -56.83 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . 9.3 m -63.92 -33.9 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD23 HE21 ' A' ' 21' ' ' GLN . 17.7 tp -65.04 -46.12 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 27.6 m120 -59.39 -42.08 90.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 2.0 m120 -74.75 -32.02 61.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 ' HG3' ' A' ' 129' ' ' ARG . 6.3 tp -66.96 -47.57 71.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.818 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -68.36 -12.03 60.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 88.32 -14.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . -152.71 146.23 14.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -61.02 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER 68.76 35.07 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.841 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -159.63 154.85 25.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -128.58 179.36 1.3 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.08 -44.07 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.85 -42.03 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 40' ' ' SER . 19.0 mt-10 -62.92 -40.33 97.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 21' ' ' GLN . 3.2 tp -61.83 -44.51 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.618 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 t -62.49 -38.73 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -74.2 -31.05 62.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.4 tt -71.86 -42.66 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.05 -47.37 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.5 m170 -61.27 -47.95 83.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLU . 28.7 mm-40 -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.014 HD12 ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.77 -46.47 85.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 6.0 t0 -60.2 -44.55 95.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' MET . 1.3 mt-10 -73.35 -46.71 47.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 51' ' ' MET . 3.3 tt0 -67.33 -53.4 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 1.014 ' HG3' HD12 ' A' ' 45' ' ' LEU . 5.6 mt-10 -59.7 -38.95 83.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.7 ttt180 -60.85 -49.3 78.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 28.1 ptm -73.35 -43.34 60.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' N ' ' HG3' ' A' ' 51' ' ' MET . 1.3 ttt180 -61.49 -47.89 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' VAL . 5.4 ptm -72.56 -42.74 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.2 -48.8 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -77.48 -54.06 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.82 -20.26 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 99.16 60.1 0.88 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.877 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -45.55 -25.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.1 t 51.88 16.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 58' ' ' VAL . 8.3 t 75.4 -50.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -53.34 -47.16 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HB2' HG23 ' A' ' 58' ' ' VAL . 2.1 m-20 -60.04 -33.33 71.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.877 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -66.3 -53.6 34.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.633 ' HD2' HD12 ' A' ' 67' ' ' LEU . 9.1 mmm180 -67.12 -27.12 67.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -50.44 51.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.95 -43.05 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 64' ' ' ARG . 13.1 mt -37.89 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' PHE . 38.8 mm-40 -50.04 -20.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.9 mm-40 -74.51 161.06 79.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.3 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -97.19 -170.81 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.07 -12.3 31.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.1 m-20 74.96 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.523 ' HE3' ' CD2' ' A' ' 80' ' ' PHE . 9.3 ptm 168.79 -172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 16.9 t0 -93.26 -175.96 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.49 -55.59 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.03 72.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.92 -37.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -143.35 145.23 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.5 m-85 -119.41 159.08 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -67.46 143.16 56.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.138 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -56.14 -27.7 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.7 mt-30 -62.95 -24.67 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.808 ' CG2' HG22 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -60.83 -41.31 88.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.83 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -63.23 -43.22 98.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -61.0 -45.11 96.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.841 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -70.94 -32.73 69.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.792 HD22 HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.31 -51.56 56.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.734 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.07 -46.34 82.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.5 m -70.38 -20.95 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.818 ' CE2' HD23 ' A' ' 28' ' ' LEU . 1.7 m95 -83.07 -21.29 33.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.46 -53.04 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -89.5 166.15 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.33 161.17 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.751 ' HB2' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.22 125.61 44.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.2 pp -131.47 159.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.898 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.95 138.15 58.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' O ' ' C ' ' A' ' 100' ' ' ASN . 15.9 t80 -90.39 -44.88 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.813 HD21 ' N ' ' A' ' 166' ' ' SER . 83.0 m-20 -30.19 -43.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.5 t -24.9 109.05 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.43 20.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 9.6 mt-10 -69.4 -47.07 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.678 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.3 m-85 -69.17 -47.04 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.5 -46.47 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.38 -38.41 87.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -65.61 -24.76 67.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.739 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.5 ptt180 131.09 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.678 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.99 118.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER -107.32 154.32 40.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.97 -40.9 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 154' ' ' ALA . 0.0 OUTLIER -77.4 -33.58 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 110' ' ' ASP . 3.1 m-20 -44.65 -26.31 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HG2' HG22 ' A' ' 169' ' ' VAL . 2.3 tp10 -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -111.2 1.29 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -146.02 100.27 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.3 OUTLIER -118.63 154.93 31.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mt -126.36 140.2 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 125' ' ' TRP . 39.3 t -124.11 144.48 49.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 108.339 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.8 122.95 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.619 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -109.55 108.99 19.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.34 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -108.88 -73.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 143.51 52.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.893 ' CH2' HD13 ' A' ' 85' ' ' ILE . 51.0 p-90 -127.91 164.73 21.63 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -128.95 162.48 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.047 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.555 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -115.42 126.94 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.439 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 117' ' ' PHE . 42.5 t -106.11 124.23 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.787 ' HG3' HD12 ' A' ' 27' ' ' LEU . 1.2 tmm_? -126.72 148.31 49.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.519 ' HG3' ' CE3' ' A' ' 135' ' ' TRP . 7.7 tttt -72.45 122.3 21.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.68 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 8.3 mt -119.66 122.14 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.81 -104.38 1.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.69 12.17 6.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.486 ' O ' ' CD1' ' A' ' 136' ' ' PHE . 11.2 mm100 -137.9 161.05 37.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 115' ' ' ARG . 3.2 m95 -83.67 142.27 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.68 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 9.4 m-85 -139.97 143.36 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.717 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -90.1 147.27 23.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -138.54 131.5 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.611 ' HB3' HD23 ' A' ' 141' ' ' LEU . 1.7 t30 178.8 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.446 ' N ' HD22 ' A' ' 139' ' ' ASN . 0.6 OUTLIER 165.72 -28.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -68.39 -23.68 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.83 -0.99 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.92 24.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.627 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 145.63 174.55 17.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.436 ' O ' ' CE ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.03 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 142.07 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 136' ' ' PHE . 0.0 OUTLIER -83.49 125.2 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.717 HD11 ' OD1' ' A' ' 137' ' ' ASN . 48.7 mt -115.38 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.35 149.78 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.426 ' OD1' HG13 ' A' ' 112' ' ' ILE . 4.2 t70 -56.42 -31.82 64.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.0 t -83.39 -11.06 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -99.84 -45.77 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.9 OUTLIER -54.29 -48.11 71.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 112' ' ' ILE . . . -66.62 -43.66 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.7 -37.24 86.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -65.38 -51.91 57.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.693 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -59.17 -34.21 71.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.21 87.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.585 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -60.14 -48.69 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -66.07 -37.86 86.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.351 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.5 mt-30 -61.98 -46.35 89.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -70.74 -27.77 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.02 -30.02 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.707 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -175.61 -95.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.707 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 158.94 119.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.98 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.813 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.3 OUTLIER -178.09 68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.913 ' CG1' HD11 ' A' ' 160' ' ' LEU . 4.3 mt -134.9 136.73 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.138 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -124.45 134.6 53.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.867 HG23 ' CE1' ' A' ' 117' ' ' PHE . 1.8 p -102.09 123.92 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.778 HG12 HD22 ' A' ' 94' ' ' LEU . 4.5 t -86.74 110.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -115.06 143.29 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 129.3 -162.57 22.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.623 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 2.7 m-20 -82.58 119.25 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -111.09 134.43 21.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.779 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.5 Cg_endo -74.93 -161.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -143.26 151.34 40.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.82 -166.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.22 -40.52 64.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 131' ' ' LEU . . . -55.69 -33.66 64.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 22.5 t70 -58.22 -48.67 79.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.42 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.546 ' O ' HD11 ' A' ' 186' ' ' ILE . 1.6 tp -61.99 -40.1 94.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.5 OUTLIER -66.21 -49.59 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.556 ' N ' HD13 ' A' ' 183' ' ' LEU . 0.6 OUTLIER -64.04 -65.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.405 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 3.4 mtp -72.32 107.88 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.679 HD13 ' HD2' ' A' ' 2' ' ' PRO . 33.1 mm -149.48 160.65 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 186' ' ' ILE . 0.0 OUTLIER -45.55 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 186' ' ' ILE . 75.0 t -139.16 -64.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -150.74 -55.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.777 ' CD ' HD11 ' A' ' 186' ' ' ILE . 18.5 Cg_endo -75.02 -167.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -99.62 -53.62 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.1 109.06 1.03 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 182' ' ' LEU . 86.4 p -76.23 -37.54 57.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.753 ' HG2' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -54.02 -12.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 5' ' ' SER . 8.9 mt-10 -60.39 -40.56 91.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' CD2' ' A' ' 182' ' ' LEU . 7.9 t -129.18 42.23 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.753 HD12 ' HG2' ' A' ' 6' ' ' MET . 1.9 mt -85.95 123.67 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 153.05 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 3.1 t60 -90.52 135.77 33.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' CG ' ' H ' ' A' ' 13' ' ' LYS . 1.2 pm0 -59.26 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.606 ' C ' ' HE2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -95.93 85.71 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.68 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -101.48 142.16 33.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.68 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.3 tt0 -153.28 71.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.82 99.75 0.14 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -129.81 88.44 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 ' H ' ' A' ' 19' ' ' CYS . 1.7 pt? -148.79 -50.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.731 ' H ' HD23 ' A' ' 18' ' ' LEU . 85.3 m -114.86 175.12 5.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.759 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.06 -22.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.969 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.39 -32.32 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 8.9 p-80 -60.93 -52.83 63.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 2.9 t -60.63 -44.38 96.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.899 HD22 HG13 ' A' ' 85' ' ' ILE . 61.6 tp -56.45 -42.82 78.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.662 ' ND2' ' CE1' ' A' ' 33' ' ' PHE . 24.8 m120 -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.77 -30.26 66.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.19 -45.14 58.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -78.36 -31.04 48.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 177' ' ' CYS . 0.5 OUTLIER 66.08 105.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.808 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 112.06 0.29 26.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 1.7 pt-20 37.55 -102.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.808 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 26.4 m-85 88.51 -29.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 38' ' ' LEU . 4.1 p90 -110.82 138.21 47.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.645 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -88.58 -174.29 0.46 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.671 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.02 -34.09 4.06 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.808 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.08 -42.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 10.0 mt-10 -58.71 -36.53 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.969 HD22 ' HB2' ' A' ' 21' ' ' GLN . 1.9 tp -63.63 -45.09 91.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.31 -46.31 86.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -30.09 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -71.02 -50.01 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.931 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -55.47 -48.2 74.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 11.5 m170 -63.89 -44.57 92.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.572 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.5 mm-40 -65.79 -33.97 77.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -63.27 -48.04 79.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.562 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.0 OUTLIER -74.14 -47.11 38.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.628 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.27 -51.38 38.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.695 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.4 tp10 -59.46 -43.17 93.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 8.9 ttm180 -59.56 -49.14 78.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 27.4 ptm -73.02 -44.68 60.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.4 tpp180 -59.97 -48.62 80.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 6.0 ptm -72.31 -39.6 68.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -67.54 -48.18 67.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -79.87 -33.69 39.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -65.05 -15.58 60.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 93.29 55.33 1.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.99 HG23 ' HB3' ' A' ' 62' ' ' ASP . 5.9 p -51.74 -17.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 58' ' ' VAL . 3.0 t 49.18 16.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 m 76.32 -43.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 59' ' ' THR . 2.0 mm-40 -54.65 -46.89 74.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.99 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -61.84 -33.36 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.884 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -63.94 -53.48 49.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HD2' HD12 ' A' ' 67' ' ' LEU . 7.5 mmm180 -66.84 -26.98 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -50.21 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -78.88 -39.76 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 64' ' ' ARG . 12.4 mt -42.0 -26.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' N ' ' C ' ' A' ' 66' ' ' PHE . 32.6 mm-40 -54.59 -20.52 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.599 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.8 mm-40 -65.63 160.45 60.52 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 71' ' ' SER . 18.2 Cg_endo -74.97 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.586 ' C ' ' O ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -23.91 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.51 -22.01 32.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.633 ' O ' ' CG ' ' A' ' 74' ' ' MET . 11.1 m-80 -88.06 16.12 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.633 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 13.1 ptm 49.59 167.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 8.7 t0 -110.67 -175.69 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -125.84 -37.83 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -44.66 -55.76 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.549 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 167.85 56.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.95 124.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.985 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.712 ' CD2' HD23 ' A' ' 38' ' ' LEU . 80.0 m-85 -95.05 156.42 16.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.862 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -67.86 140.73 56.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.053 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -56.01 -27.71 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 11.1 mt-30 -62.25 -24.53 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.931 HG12 ' HB2' ' A' ' 42' ' ' ALA . 4.6 m -60.75 -40.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -62.43 -40.5 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 3.4 t -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.849 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -39.88 91.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.05 -35.2 66.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -67.32 -50.47 59.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 87' ' ' ASN . 8.1 m -72.32 -20.87 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.745 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.1 m95 -82.54 -20.76 35.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.36 -40.87 1.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.92 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.8 OUTLIER -90.5 168.69 11.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 171' ' ' LYS . 5.0 pt-20 -127.98 154.57 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.63 HD11 ' CB ' ' A' ' 168' ' ' PHE . 15.0 tp -124.72 140.55 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.455 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.4 pp -147.47 159.25 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.661 HD21 ' ND2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.51 142.86 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 9.9 t80 -93.62 -37.46 11.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.876 HD21 ' N ' ' A' ' 166' ' ' SER . 66.2 m-20 -36.81 -38.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.2 OUTLIER -32.02 111.9 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.92 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 16.3 mt-10 -74.99 -46.8 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.628 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 2.1 m-85 -66.02 -45.28 82.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 101' ' ' SER . 1.5 mt-30 -55.35 -46.88 76.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -67.42 -34.95 78.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -68.07 -24.83 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 3.4 ptm180 131.83 60.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.628 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -126.91 118.95 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.45 153.86 40.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.764 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -28.56 9.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.68 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -82.27 -18.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.6 t-20 -11.27 87.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.2 tt0 -38.57 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER 178.69 -83.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 129' ' ' ARG . 17.0 m 179.41 133.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.887 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -124.75 158.62 32.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 126' ' ' PHE . 4.5 mt -130.13 142.88 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 33.9 m -127.57 144.53 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.2 t-20 -129.68 124.69 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -112.2 109.1 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 55.24 -85.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -109.5 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.74 141.1 57.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.614 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.804 ' HZ3' HG23 ' A' ' 127' ' ' THR . 59.2 p-90 -129.1 165.29 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.719 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.24 159.39 35.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.804 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -116.56 124.47 49.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 117' ' ' PHE . 3.6 t -107.46 123.94 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.457 ' HA ' ' OG ' ' A' ' 116' ' ' SER . 1.9 tmm_? -122.13 144.15 49.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -86.45 116.12 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.968 HD12 ' HB1' ' A' ' 179' ' ' ALA . 0.4 OUTLIER -101.22 120.18 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.469 ' HA2' HD22 ' A' ' 183' ' ' LEU . . . 65.83 -85.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.71 28.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 9.9 mm-40 -140.16 158.38 44.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.631 ' CZ3' ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -101.58 121.41 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.012 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 131' ' ' LEU . 2.0 m-85 -122.01 134.64 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.93 143.09 28.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -146.28 137.34 24.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.595 ' HB3' HD23 ' A' ' 141' ' ' LEU . 7.5 t-20 175.16 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.7 m 151.44 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -78.31 -12.99 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.713 HD13 ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -104.85 -7.58 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.62 23.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.617 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 165.61 173.38 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 65.73 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 133.15 55.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.602 HD13 ' CE2' ' A' ' 136' ' ' PHE . 25.1 tp -89.82 131.2 35.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 153' ' ' LEU . 10.0 mt -105.05 151.18 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.3 OUTLIER -89.89 151.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.611 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -57.82 -39.83 78.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 5.9 t -83.61 -8.59 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -98.03 -48.8 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.84 -48.26 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.02 -43.28 88.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.2 -35.27 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.729 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.57 -50.55 66.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.635 ' HA ' HD23 ' A' ' 160' ' ' LEU . 3.2 mt -61.11 -34.67 75.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.15 -45.01 93.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.723 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -60.71 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.917 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.6 OUTLIER -66.58 -35.17 79.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.528 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.2 mt-30 -64.71 -46.46 82.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -71.01 -26.74 63.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -75.48 -31.2 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.674 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -172.01 -100.24 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.674 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 159.71 111.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.876 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER -173.83 73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.917 ' CG1' HD11 ' A' ' 160' ' ' LEU . 3.8 mt -134.93 130.99 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.053 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -118.61 136.97 53.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.887 HG23 ' CE1' ' A' ' 117' ' ' PHE . 2.1 p -109.48 132.12 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.73 HG13 HD12 ' A' ' 89' ' ' LEU . 3.9 t -86.92 117.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -122.04 137.74 54.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.499 ' N ' HH12 ' A' ' 115' ' ' ARG . . . 132.39 -150.03 19.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.92 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.4 m-20 -95.36 126.16 40.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' A' ' 175' ' ' PRO . 1.1 tm? -101.36 129.87 26.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.1 Cg_endo -75.0 143.41 29.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.26 -177.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' GLN . 27.5 p -176.73 169.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 181' ' ' GLN . 0.5 OUTLIER -53.29 -41.46 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.968 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.39 -34.59 70.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.608 ' O ' HD23 ' A' ' 183' ' ' LEU . 6.3 t70 -58.16 -44.06 87.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 185' ' ' MET . 4.4 pt20 -78.3 -26.23 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 5' ' ' SER . 2.4 tp -68.14 -30.56 69.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 180' ' ' ASP . 1.1 pp -56.99 -43.09 81.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.567 ' HB2' HD12 ' A' ' 183' ' ' LEU . 8.8 mt-30 -164.39 -70.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.482 ' O ' ' O ' ' A' ' 181' ' ' GLN . 9.4 mtt -34.39 110.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.777 HD11 ' CD ' ' A' ' 2' ' ' PRO . 42.9 mm -95.58 151.18 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 144.57 50.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 189' ' ' GLN . 13.5 p -58.32 -53.48 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . 0.537 ' N ' HG13 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -174.52 87.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.27 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.561 1.822 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.11 -63.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.71 128.28 6.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.76 ' O ' HD13 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -76.24 -48.49 20.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.8 ttm -58.33 -11.64 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.808 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -130.7 53.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 110.036 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.6 mt -86.84 123.08 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.0 p90 163.62 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.611 ' CD2' ' HG2' ' A' ' 12' ' ' GLU . 10.4 t-160 -112.92 135.25 53.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.611 ' HG2' ' CD2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -41.37 -92.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -95.75 124.8 39.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.532 ' OE1' ' HB3' ' A' ' 25' ' ' ASN . 14.5 tp60 -135.43 136.95 41.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 1.1 mt-10 -143.31 119.4 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.566 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 142.24 -121.23 1.75 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.9 OUTLIER 90.35 97.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.0 pp -173.68 -55.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.6 p -115.74 175.16 5.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.28 -23.69 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.665 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.79 -38.48 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -60.24 -43.89 95.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.8 m -64.48 -33.17 75.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD11 HG13 ' A' ' 85' ' ' ILE . 5.1 mt -62.24 -46.49 88.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.532 ' HB3' ' OE1' ' A' ' 14' ' ' GLN . 7.2 m120 -61.98 -42.34 99.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 129' ' ' ARG . 1.2 t30 -74.96 -35.03 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 23' ' ' CYS . 2.2 tp -75.13 -48.32 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 92' ' ' TRP . 97.7 mt -73.51 -20.13 60.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 77.62 17.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -151.04 124.72 1.75 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 8.4 pt-20 -84.07 55.49 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.707 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -108.16 52.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -156.92 152.7 27.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.538 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.9 OUTLIER -132.21 -179.3 1.02 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.614 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.25 -41.39 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.03 -40.77 98.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 1.2 tp -64.61 -42.49 95.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -58.88 -45.77 89.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -29.99 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -69.88 -44.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.001 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 39' ' ' SER . 7.0 m170 -64.11 -44.94 90.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 mt-30 -62.2 -41.36 98.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -59.62 -44.47 93.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -60.48 -43.91 96.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 51' ' ' MET . 2.2 mt-10 -73.22 -47.48 43.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -68.88 -51.1 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.7 tm-20 -59.74 -39.09 83.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 30.3 ttt180 -62.93 -48.74 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 28.0 ptm -72.56 -45.88 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -57.73 -48.77 78.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.954 ' HE2' HG21 ' A' ' 58' ' ' VAL . 7.7 ptm -72.63 -39.84 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -65.94 -48.29 71.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.6 mm-40 -80.65 -55.15 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -43.25 -21.89 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 55' ' ' GLU . . . 93.78 56.87 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.954 HG21 ' HE2' ' A' ' 53' ' ' MET . 7.1 p -54.57 -17.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 58' ' ' VAL . 8.3 t 51.34 15.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.567 ' H ' HG13 ' A' ' 58' ' ' VAL . 1.1 t 75.37 -43.65 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' THR . 7.9 mt-10 -53.39 -46.45 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.93 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.81 -33.19 75.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.882 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -62.31 -54.15 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -67.35 -32.03 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -50.57 73.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.699 ' HD1' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.74 -31.78 41.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -41.02 -28.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' PHE . 12.8 mm-40 -50.1 -20.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.602 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -74.94 159.49 82.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 -149.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 88.15 12.61 65.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.54 -72.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.517 ' HE1' ' CE1' ' A' ' 80' ' ' PHE . 18.2 ptm 172.77 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 1.6 t0 -85.77 -175.83 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -83.27 -55.42 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.94 80.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.1 -33.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -141.9 145.01 34.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.686 ' CD1' ' HB3' ' A' ' 38' ' ' LEU . 90.7 m-85 -119.16 157.38 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.843 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.7 p -67.24 140.05 57.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.139 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -55.95 -26.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.617 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -61.23 -24.84 66.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.001 HG12 ' HB2' ' A' ' 42' ' ' ALA . 5.6 m -60.96 -35.42 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.924 HG13 HD11 ' A' ' 24' ' ' LEU . 1.4 mp -65.57 -43.98 93.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 t -59.38 -44.98 92.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.902 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -61.04 -43.01 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.43 -36.05 68.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.98 HD13 HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -68.25 -50.01 56.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.3 -42.23 81.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 87' ' ' ASN . 10.4 m -75.75 -21.22 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.794 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.84 -20.57 38.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.975 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.31 -41.36 1.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 89' ' ' LEU . 1.2 pt? -90.35 166.19 13.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 171' ' ' LYS . 6.1 pt-20 -127.07 155.33 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 168' ' ' PHE . 21.2 tp -124.76 138.84 54.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' HD3' ' A' ' 171' ' ' LYS . 1.3 pp -142.84 159.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 167' ' ' ILE . 0.2 OUTLIER -64.13 131.42 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.534 ' CE1' ' NE2' ' A' ' 105' ' ' GLN . 19.8 t80 -83.12 -45.66 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.788 HD21 ' N ' ' A' ' 166' ' ' SER . 61.8 m-20 -30.67 -42.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 5.5 t -28.31 108.53 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.05 21.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 4.7 mt-10 -66.11 -47.91 72.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.708 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 1.7 m-85 -70.09 -47.6 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.72 -46.28 77.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -65.28 -40.65 94.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -64.04 -25.09 67.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 9.6 ptt180 130.78 60.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.708 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -127.1 118.18 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.483 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 3.1 m-20 -107.24 152.39 41.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -75.0 -36.29 2.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.63 HG22 ' NE1' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.72 -28.94 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 110' ' ' ASP . 3.9 m-20 -52.08 -20.77 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.66 ' HG3' HG22 ' A' ' 169' ' ' VAL . 1.1 mm-40 -92.58 171.54 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -126.33 2.47 7.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 9.4 t -153.12 96.62 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.125 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.4 OUTLIER -115.51 158.98 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.645 HG21 HD11 ' A' ' 82' ' ' ILE . 4.2 mt -130.01 139.26 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.46 ' SG ' HG21 ' A' ' 128' ' ' VAL . 5.7 m -115.45 147.53 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.54 118.01 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -111.71 135.02 52.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 121' ' ' TYR . 17.1 mtmt 33.64 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.6 tp10 -109.34 -59.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -68.08 146.59 53.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.782 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 43.4 p-90 -128.64 164.17 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 1.005 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 11.0 m-85 -129.39 162.58 27.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 125.85 54.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 117' ' ' PHE . 17.1 t -105.32 122.45 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.454 ' NH2' ' SG ' ' A' ' 177' ' ' CYS . 0.0 OUTLIER -120.62 153.87 36.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 126.59 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.802 HD12 ' CB ' ' A' ' 136' ' ' PHE . 7.9 mt -118.61 121.99 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.464 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.39 -98.57 0.59 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -136.88 17.31 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.427 ' OE1' ' OD1' ' A' ' 150' ' ' ASP . 8.3 mm100 -133.62 160.14 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.63 ' NE1' HG22 ' A' ' 112' ' ' ILE . 2.1 m95 -89.53 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 147' ' ' LEU . 5.7 m-85 -135.17 142.12 46.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.776 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -84.83 135.22 34.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.69 117.98 24.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 141' ' ' LEU . 1.5 p30 177.58 -172.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.3 t -108.44 32.12 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.959 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 1.005 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 2.0 tp -103.19 -42.46 5.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.843 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -102.23 -7.49 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.62 23.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.421 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 142' ' ' LEU . . . -161.06 146.16 11.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.02 3.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -47.48 108.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 136' ' ' PHE . 0.3 OUTLIER -60.0 123.72 17.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.776 HD11 ' OD1' ' A' ' 137' ' ' ASN . 70.3 mt -104.67 124.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.98 147.0 54.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.496 ' O ' HG21 ' A' ' 112' ' ' ILE . 2.6 m-20 -56.35 -32.55 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 1.9 t -83.68 -14.48 51.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -95.42 -46.56 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.2 tm? -53.88 -48.35 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . . . -66.31 -41.14 90.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -64.64 -35.6 81.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.731 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -65.02 -51.64 60.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 160' ' ' LEU . 6.8 mt -60.54 -34.65 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.07 94.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.704 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.69 -48.64 80.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.95 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.7 OUTLIER -67.92 -35.14 77.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -64.66 -46.42 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -70.94 -27.64 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -73.59 -31.98 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.701 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -173.85 -97.49 0.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 159.18 119.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.987 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.788 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER -177.36 67.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.95 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.2 mt -134.73 141.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.139 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.5 m-85 -122.38 136.3 54.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 1.125 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -103.7 123.73 57.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 94' ' ' LEU . 3.0 t -87.9 112.93 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.71 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -121.2 135.19 55.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 138.92 -154.84 23.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.714 ' O ' HD22 ' A' ' 94' ' ' LEU . 69.6 m-20 -88.06 119.76 28.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.6 OUTLIER -106.08 130.96 22.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.4 Cg_endo -74.98 152.47 40.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.61 152.49 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.454 ' SG ' ' NH2' ' A' ' 129' ' ' ARG . 23.3 p -133.07 -173.02 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.73 -38.39 64.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.621 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.65 -34.73 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 183' ' ' LEU . 0.7 OUTLIER -58.16 -36.28 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -80.5 -31.64 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.808 HD11 ' O ' ' A' ' 8' ' ' SER . 92.1 mt -60.27 -41.93 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -57.01 -47.4 80.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.815 ' HB2' HD12 ' A' ' 183' ' ' LEU . 3.9 mt-30 161.18 135.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 7.6 ttm 177.01 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.791 HD12 ' HD3' ' A' ' 187' ' ' ARG . 1.4 pt -48.98 165.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.791 ' HD3' HD12 ' A' ' 186' ' ' ILE . 0.0 OUTLIER 63.94 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 187' ' ' ARG . 3.2 p 40.53 73.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -172.79 -48.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 182' ' ' LEU . 18.4 Cg_endo -74.94 -164.24 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mt -96.83 -62.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' A' ' 7' ' ' GLU . . . -133.72 107.27 0.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.727 ' O ' HD13 ' A' ' 182' ' ' LEU . 99.5 p -73.22 -42.85 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.774 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.6 ttt -69.79 -1.55 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CG ' ' HA3' ' A' ' 4' ' ' GLY . 45.5 mm-40 -75.87 -30.24 58.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.842 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -131.16 47.7 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -93.89 123.38 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.703 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 1.3 p90 167.08 -143.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 3.1 t60 -110.89 135.47 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.564 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -52.98 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 12' ' ' GLU . 8.2 mtmm -47.19 -100.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.633 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.7 OUTLIER -113.62 156.76 23.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 2.8 pm0 -121.51 -34.5 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.601 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . 37.03 -156.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.81 125.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.679 ' HG ' ' H ' ' A' ' 19' ' ' CYS . 1.4 pp -174.47 -61.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.679 ' H ' ' HG ' ' A' ' 18' ' ' LEU . 30.4 p -116.58 173.87 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 108.278 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.775 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -58.71 -24.98 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.54 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.4 tm0? -47.34 -45.41 24.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 51.7 m-70 -53.98 -41.28 67.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -39.36 81.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 HG13 ' A' ' 85' ' ' ILE . 8.6 tp -67.31 -41.18 85.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -59.32 -46.52 88.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 2.0 m-20 -69.97 -27.56 64.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.82 -46.55 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 92' ' ' TRP . 35.8 mt -81.92 -11.23 59.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.619 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 69.62 -56.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.718 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.57 122.85 23.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.8 tt0 -83.26 81.57 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.718 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.1 m-85 -129.73 46.78 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -159.56 154.95 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.557 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -132.43 -178.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.641 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.98 -52.67 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.34 -35.59 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 36.7 mt-10 -57.95 -41.91 83.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 84' ' ' VAL . 7.3 mt -63.01 -35.64 80.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 25.2 p -64.92 -45.71 84.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -33.24 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.644 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -70.85 -51.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.809 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . . . -55.88 -47.22 77.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 39' ' ' SER . 17.2 m170 -59.46 -48.08 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.666 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.35 -34.13 67.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.083 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 -47.96 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -60.65 -44.5 96.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.32 -47.9 31.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.606 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -63.1 -45.9 89.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CD ' ' CE2' ' A' ' 66' ' ' PHE . 29.4 tt0 -65.11 -45.74 83.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.05 -48.21 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.569 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 25.9 ptm -72.39 -39.77 67.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -56.01 -51.39 67.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.695 ' HE1' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -72.83 -50.49 23.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.81 78.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 51' ' ' MET . 3.4 mm-40 -71.73 -58.17 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.15 -16.63 1.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.566 ' O ' ' CG1' ' A' ' 58' ' ' VAL . . . 105.75 -33.84 6.21 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.811 HG21 ' HD1' ' A' ' 63' ' ' TYR . 7.4 p 48.43 14.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER 33.67 23.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.706 ' N ' ' O ' ' A' ' 58' ' ' VAL . 1.4 t 63.47 -53.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 59' ' ' THR . 5.7 mm-40 -53.27 -47.72 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.732 ' HB3' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -56.9 -33.23 66.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.811 ' HD1' HG21 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -62.35 -53.18 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 8.8 mmt85 -67.2 -27.01 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -50.78 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.695 ' CD1' ' HE1' ' A' ' 53' ' ' MET . 0.5 OUTLIER -79.6 -42.57 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.8 mt -37.34 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' PHE . 18.3 mm-40 -50.03 -21.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.3 mt-30 -72.7 162.43 74.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.2 Cg_endo -75.0 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -151.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 85.83 15.2 65.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 74' ' ' MET . 5.3 m-20 65.29 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 25.7 ptm 173.11 174.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 9.6 m-20 -110.65 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -146.17 27.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 t -107.98 8.59 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.16 41.73 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -159.46 137.03 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 111.014 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.641 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 62.5 m-85 -118.38 159.16 23.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.959 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -67.33 144.86 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.149 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -65.91 -26.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.801 ' HB3' HD11 ' A' ' 45' ' ' LEU . 1.5 mt-30 -60.84 -26.07 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 81' ' ' SER . 5.7 m -61.12 -42.08 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.845 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -65.93 -42.47 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' CG ' ' A' ' 90' ' ' LYS . 34.9 t -56.55 -45.42 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.714 HD21 HD23 ' A' ' 45' ' ' LEU . 2.8 m-80 -65.55 -36.95 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.724 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.64 -35.41 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.725 HD13 HD11 ' A' ' 94' ' ' LEU . 1.8 mt -67.52 -50.5 58.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.99 -46.48 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 87' ' ' ASN . 17.5 m -71.56 -21.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 28' ' ' LEU . 1.9 m95 -81.97 -20.99 37.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.83 -40.01 1.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.8 168.73 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 171' ' ' LYS . 1.7 pt-20 -123.0 154.3 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.581 HD11 HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -124.75 125.95 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 169' ' ' VAL . 1.5 pp -137.1 158.65 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.358 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.909 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.94 124.12 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' A' ' 167' ' ' ILE . 1.2 t80 -73.0 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.909 ' HB2' HD23 ' A' ' 98' ' ' LEU . 33.3 m-20 -32.37 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.3 OUTLIER 6.57 105.55 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.942 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.51 21.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.762 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 11.8 tt0 -72.57 -46.4 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.672 ' O ' HD13 ' A' ' 109' ' ' ILE . 4.0 m-85 -69.94 -46.14 65.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 101' ' ' SER . 77.5 mm-40 -53.88 -47.13 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -35.13 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.748 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -63.48 -25.3 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.748 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.0 mtt-85 130.94 55.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.672 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.3 mp -126.83 121.93 59.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -106.46 154.71 39.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HB3' HD23 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -75.04 -43.63 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -73.62 -24.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.559 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -64.05 -13.8 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.49 ' CG ' HG22 ' A' ' 169' ' ' VAL . 6.8 tp10 -87.27 126.43 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.44 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 3.8 tmt_? -66.43 -34.63 78.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.1 OUTLIER -141.14 113.2 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.119 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.76 152.19 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.746 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mt -125.7 144.6 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.59 145.63 50.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.512 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 1.8 t-20 -129.6 124.87 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.653 ' CE1' ' HE3' ' A' ' 122' ' ' LYS . 11.2 t80 -113.69 115.57 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.653 ' HE3' ' CE1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 52.27 -89.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.6 tt0 -109.08 -61.9 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' ' OD1' ' A' ' 139' ' ' ASN . 17.5 t-160 -68.07 142.54 55.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.845 ' CH2' HD13 ' A' ' 85' ' ' ILE . 49.1 p-90 -128.32 164.37 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.622 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 1.4 m-85 -129.11 162.58 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.629 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -117.93 133.2 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.119 HG21 ' CE2' ' A' ' 117' ' ' PHE . 25.1 t -115.75 126.72 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.48 146.95 50.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 101.46 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.714 ' HB2' ' CD1' ' A' ' 136' ' ' PHE . 11.0 mt -94.05 122.45 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.504 ' HA2' ' CB ' ' A' ' 183' ' ' LEU . . . 69.74 -92.74 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -142.38 20.19 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.523 ' OE1' ' CZ3' ' A' ' 135' ' ' TRP . 14.1 mm-40 -141.08 160.8 39.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -88.71 133.27 34.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.714 ' CD1' ' HB2' ' A' ' 131' ' ' LEU . 2.3 m-85 -129.46 134.28 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.658 ' HB2' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -94.0 129.27 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.727 ' HA ' HD21 ' A' ' 142' ' ' LEU . 1.3 mt -139.02 146.47 40.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.656 ' O ' ' CB ' ' A' ' 140' ' ' SER . 15.1 t-20 173.99 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.6 m 145.63 1.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.622 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -89.91 -33.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.754 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -95.04 -6.31 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 46.19 24.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 174.3 158.03 17.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.2 6.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 133.93 29.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.553 ' CD2' ' CZ ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -79.59 123.45 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 137' ' ' ASN . 66.9 mt -104.8 139.36 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 154.19 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.594 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.7 OUTLIER -56.07 -39.23 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 4.1 t -83.53 -2.7 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -53.87 -48.09 70.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.38 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -63.95 -36.55 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.794 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -64.37 -51.78 61.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -59.86 -34.68 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 162' ' ' GLN . . . -64.87 -42.97 94.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.672 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.56 -48.61 81.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -67.73 -34.29 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.2 mt-30 -66.31 -46.39 77.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 158' ' ' ALA . 50.0 mm-40 -70.78 -27.84 64.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 159' ' ' GLN . 0.0 OUTLIER -74.23 -33.5 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.702 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.3 -96.62 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.702 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.5 OUTLIER 158.71 122.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 111.023 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.533 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 175.73 72.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.947 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 15.4 mt -134.66 127.05 48.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.149 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.1 m-85 -114.14 128.0 56.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -98.67 126.18 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -87.53 111.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.531 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -120.93 137.6 54.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 137.95 -153.77 22.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.859 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.3 m-20 -90.71 120.14 31.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.548 HD22 ' HD2' ' A' ' 175' ' ' PRO . 1.5 tm? -103.27 127.65 29.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.548 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.3 Cg_endo -75.01 148.81 35.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.75 159.86 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 20.1 p -144.57 169.05 18.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 29' ' ' GLN . 1.2 mm-40 -54.17 -42.63 69.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.41 -36.92 69.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.437 ' O ' HD23 ' A' ' 183' ' ' LEU . 33.0 t70 -58.03 -38.7 76.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 184' ' ' GLN . 1.8 mt-30 -77.36 -29.73 53.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 8' ' ' SER . 95.5 mt -64.98 -35.92 82.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.894 HD12 ' HG3' ' A' ' 184' ' ' GLN . 0.3 OUTLIER -56.54 -46.58 80.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.894 ' HG3' HD12 ' A' ' 183' ' ' LEU . 37.7 mt-30 -164.66 -114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 1.4 ttt 56.95 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 184' ' ' GLN . 0.1 OUTLIER 42.06 -161.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.74 154.03 4.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 188' ' ' VAL . 17.9 m -76.96 64.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -159.8 -55.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.654 ' HA2' HD12 ' A' ' 186' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.92 -59.46 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . -154.84 124.57 1.54 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -61.08 -42.75 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.734 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -51.8 -17.68 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 48.4 mt-10 -53.13 -31.73 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.599 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.9 OUTLIER -151.83 54.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -91.14 124.09 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 154.05 -168.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.605 ' CB ' ' HA ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -112.78 135.63 53.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.632 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -62.96 -137.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 25.5 mmtt 49.68 -133.02 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' OE1' ' CG ' ' A' ' 31' ' ' GLU . 2.4 pm0 -89.68 159.49 17.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -110.65 -74.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 37.45 -153.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.633 ' N ' ' CE1' ' A' ' 22' ' ' HIS . 1.4 p 157.66 101.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.924 HD12 ' N ' ' A' ' 19' ' ' CYS . 4.3 pp -125.82 -64.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.924 ' N ' HD12 ' A' ' 18' ' ' LEU . 78.2 m -115.99 173.74 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.725 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -53.04 -24.33 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.66 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.73 -45.29 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' CE1' ' N ' ' A' ' 17' ' ' SER . 14.7 m-70 -54.1 -48.17 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.543 ' SG ' ' ND2' ' A' ' 139' ' ' ASN . 4.4 m -64.38 -32.59 74.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD13 HG23 ' A' ' 85' ' ' ILE . 23.3 tp -66.76 -44.41 81.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 31' ' ' GLU . 15.2 m-20 -60.53 -42.27 96.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 3.6 m-80 -74.9 -31.09 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.734 HD12 ' HB3' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -73.53 -42.92 61.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.854 HD23 ' CE2' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -72.02 -3.07 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 82.63 -6.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -166.29 160.08 33.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.541 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -75.13 -104.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 69.07 12.6 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -136.96 145.24 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.499 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.27 173.07 3.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.602 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.81 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.43 -35.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -61.4 -46.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.5 mt -57.0 -45.38 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.483 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -59.48 -45.69 90.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.12 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.61 ' CG2' ' HB ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -70.04 -47.06 70.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.983 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.31 -47.51 78.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' NE2' ' SD ' ' A' ' 74' ' ' MET . 12.2 m170 -68.61 -42.88 77.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -65.74 -42.64 90.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -45.29 94.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -74.27 -44.14 54.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 31.8 tt0 -67.57 -45.81 74.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 66.6 mm-40 -62.28 -44.93 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 45.5 ttt180 -58.47 -48.91 79.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 26.8 ptm -72.96 -44.98 60.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -58.91 -48.3 81.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.2 ptm -72.53 -40.94 66.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -61.72 -48.56 80.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -83.33 -33.63 25.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -63.91 -10.21 37.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 85.44 48.6 4.71 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.846 ' O ' HG22 ' A' ' 59' ' ' THR . 2.7 p -43.3 -25.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 58' ' ' VAL . 13.0 t 53.46 14.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.7 t 77.87 -43.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' THR . 41.8 mm-40 -53.29 -47.62 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -65.44 -32.9 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.725 ' CD2' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -68.98 -53.17 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -65.45 -27.39 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -49.7 49.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -78.44 -43.57 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 15.0 mt -37.39 -31.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.478 ' N ' ' C ' ' A' ' 66' ' ' PHE . 14.7 mm-40 -49.29 -23.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.1 mt-30 -69.19 166.07 32.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.01 129.69 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -157.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 86.07 10.66 74.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 81.9 m-20 64.78 -68.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.8 ptm 175.45 175.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.6 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 32.7 t0 -110.81 173.83 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -140.59 16.96 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 t -100.38 -1.19 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . 125.1 48.48 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -168.83 121.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 26.4 m-85 -99.45 159.88 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.977 ' O ' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -66.69 139.39 57.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.099 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -66.55 -26.68 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.69 ' OE1' HG22 ' A' ' 82' ' ' ILE . 3.9 mp0 -60.46 -28.13 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.977 HG22 ' O ' ' A' ' 81' ' ' SER . 4.9 m -61.45 -35.34 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.993 HG23 HD13 ' A' ' 24' ' ' LEU . 1.1 mm -65.73 -46.79 88.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 40.0 t -55.78 -45.66 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.7 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.0 m-80 -62.86 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -73.65 -35.35 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.927 HD13 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -67.81 -50.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.1 -46.6 82.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 87' ' ' ASN . 18.5 m -71.21 -22.39 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.854 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.2 m95 -80.48 -21.38 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.69 -37.53 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.6 OUTLIER -90.83 166.52 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' LYS . 9.9 pm0 -122.02 152.35 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.824 HD13 HG22 ' A' ' 170' ' ' VAL . 64.4 tp -124.89 136.23 53.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.636 HD11 ' HD3' ' A' ' 171' ' ' LYS . 2.6 pp -146.37 158.22 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 167' ' ' ILE . 0.1 OUTLIER -65.36 133.7 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB2' HG23 ' A' ' 169' ' ' VAL . 11.5 t80 -82.81 -42.92 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.692 ' O ' ' C ' ' A' ' 101' ' ' SER . 2.7 m-20 -29.1 -60.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -4.74 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.86 19.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.5 tt0 -70.07 -46.91 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.697 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 4.0 m-30 -66.91 -46.15 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -55.45 -46.84 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -39.42 93.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -65.53 -24.91 67.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.741 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 2.7 ptt85 130.68 61.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.697 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.94 118.52 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' CB ' ' HB2' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -106.71 154.07 40.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.721 ' CB ' HD23 ' A' ' 157' ' ' LEU . 18.2 Cg_endo -75.01 -39.01 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.71 -18.9 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 110' ' ' ASP . 3.0 m-20 -64.83 -10.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.786 ' HG2' HG22 ' A' ' 169' ' ' VAL . 13.6 tp10 -89.67 155.08 19.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 116' ' ' SER . 0.0 OUTLIER -100.96 -3.62 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 170' ' ' VAL . 0.2 OUTLIER -173.31 108.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 1.053 ' CE2' HG21 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -114.38 158.36 21.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 82' ' ' ILE . 2.0 mt -123.03 144.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -125.11 140.46 52.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 108.313 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -130.08 126.89 38.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -113.97 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 0.1 OUTLIER 54.93 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -108.76 -74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -59.28 140.17 56.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.725 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 49.0 p-90 -128.69 164.65 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.59 ' HA ' ' ND2' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -128.5 162.71 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.678 HG23 ' HZ3' ' A' ' 125' ' ' TRP . 0.2 OUTLIER -114.63 131.82 56.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.053 HG21 ' CE2' ' A' ' 117' ' ' PHE . 13.8 t -117.57 121.23 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.734 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -127.13 153.38 46.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.551 ' HE3' ' CD1' ' A' ' 135' ' ' TRP . 6.7 mtpt -79.04 103.46 9.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -89.11 122.41 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.585 ' N ' HD22 ' A' ' 131' ' ' LEU . . . 68.85 -79.2 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 23.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 135' ' ' TRP . 21.2 mm100 -141.06 158.79 43.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.65 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -80.97 115.92 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.814 ' HE1' HD13 ' A' ' 147' ' ' LEU . 3.2 m-85 -118.27 138.24 52.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.408 ' CG ' HG22 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -86.48 146.81 26.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.6 123.91 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.59 ' ND2' ' HA ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER 167.44 -174.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.8 t -93.73 11.6 28.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.4 tp -88.89 -41.62 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -93.26 -10.67 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 50.07 19.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.593 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 177.46 170.14 39.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.3 134.97 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.814 HD13 ' HE1' ' A' ' 136' ' ' PHE . 9.5 tp -87.07 125.49 34.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 147' ' ' LEU . 15.5 mt -104.6 140.38 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 152' ' ' TYR . 0.1 OUTLIER -82.42 151.04 26.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.65 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -55.0 -39.14 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 8.5 t -83.62 -16.5 45.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.48 ' HB2' ' CB ' ' A' ' 149' ' ' SER . 0.3 OUTLIER -85.61 -47.79 9.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 112' ' ' ILE . 0.9 OUTLIER -54.22 -48.11 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -62.63 -40.77 98.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.871 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -61.16 -52.22 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 1.025 ' HA ' HD12 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.04 -32.6 71.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.79 78.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.638 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.9 OUTLIER -68.55 -50.48 51.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 1.053 HD11 HD11 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.63 -32.29 73.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.986 ' N ' HD13 ' A' ' 160' ' ' LEU . 2.7 mt-30 -64.02 -46.59 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -29.43 65.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.9 mm-40 -71.08 -41.77 70.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.604 ' O ' ' CG ' ' A' ' 165' ' ' TYR . . . -168.08 -96.08 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.604 ' CG ' ' O ' ' A' ' 164' ' ' GLY . 0.4 OUTLIER 158.17 127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.659 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.2 OUTLIER 177.54 58.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 1.053 HD11 HD11 ' A' ' 160' ' ' LEU . 1.6 mt -119.93 127.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.099 ' CE2' HG21 ' A' ' 82' ' ' ILE . 1.2 m-85 -119.47 113.26 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.786 HG22 ' HG2' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -84.67 132.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.824 HG22 HD13 ' A' ' 96' ' ' LEU . 4.2 t -89.87 111.54 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.636 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -114.9 134.02 55.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 133.2 -151.54 20.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.935 ' O ' HD22 ' A' ' 94' ' ' LEU . 8.9 t70 -90.98 119.05 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.839 HD13 ' HD2' ' A' ' 175' ' ' PRO . 0.5 OUTLIER -97.75 132.23 25.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.839 ' HD2' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 135.93 19.63 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 4.8 m-20 -82.74 152.1 25.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -137.02 -165.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 182' ' ' LEU . 1.6 mm-40 -52.97 -37.78 61.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -55.22 -40.82 71.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 183' ' ' LEU . 24.4 t0 -58.26 -34.72 70.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.543 ' OE1' HD23 ' A' ' 182' ' ' LEU . 6.7 tm0? -74.12 -37.05 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 179' ' ' ALA . 13.2 mt -66.8 -29.06 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 184' ' ' GLN . 0.0 OUTLIER -56.77 -41.31 77.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.61 ' N ' HD23 ' A' ' 183' ' ' LEU . 15.0 mm100 -151.53 -110.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.474 ' CG ' ' HG2' ' A' ' 181' ' ' GLN . 0.0 OUTLIER 65.43 -66.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.654 HD12 ' HA2' ' A' ' 1' ' ' GLY . 2.2 mm 58.42 162.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.38 -57.27 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 188' ' ' VAL . 3.9 p -41.95 114.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -166.99 -52.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -168.69 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mt -86.73 -46.03 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.44 96.91 0.12 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 182' ' ' LEU . 6.7 p -67.33 -44.87 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.822 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.7 mtt -52.83 -16.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.86 -33.36 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.652 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -149.51 54.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 6' ' ' MET . 3.2 mt -89.47 123.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 1.1 m-30 154.14 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CE1' ' HA2' ' A' ' 30' ' ' GLY . 7.7 t-80 -112.83 135.8 53.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -56.67 -120.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' GLU . 50.8 mmtt 35.05 -120.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -117.25 159.48 22.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.1 mp0 -130.73 171.6 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' ' CD2' ' A' ' 22' ' ' HIS . . . 36.58 54.62 1.35 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.556 ' CB ' ' HB2' ' A' ' 22' ' ' HIS . 4.6 t -52.18 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.2 pp -179.48 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.685 ' N ' HD12 ' A' ' 18' ' ' LEU . 27.3 p -109.11 175.37 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.726 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -49.9 -24.89 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.578 HE22 HD23 ' A' ' 24' ' ' LEU . 37.0 tp60 -47.02 -23.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' HB2' ' CB ' ' A' ' 17' ' ' SER . 5.4 t-80 -68.62 -49.74 56.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 138' ' ' LEU . 4.5 m -63.32 -35.38 80.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.023 HD22 HG13 ' A' ' 85' ' ' ILE . 32.1 tp -67.22 -35.31 79.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 21' ' ' GLN . 26.5 m120 -66.42 -45.36 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HA ' ' CB ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -72.52 -35.91 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 24' ' ' LEU . 6.9 tp -63.68 -47.47 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.766 HD23 ' CE2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -70.59 -7.74 46.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.244 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 76.95 -1.99 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -160.64 137.71 5.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -58.92 -106.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.3 OUTLIER 66.81 40.47 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CB ' HE21 ' A' ' 21' ' ' GLN . 0.2 OUTLIER -159.65 154.79 25.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' CB ' ' HG3' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -124.57 171.93 6.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.63 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.4 Cg_endo -74.99 -45.03 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -55.68 -36.05 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 4.7 mt-10 -60.64 -44.88 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 4.8 mt -57.42 -44.34 84.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -59.62 -45.64 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -39.63 77.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.98 -50.51 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.832 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -56.19 -45.49 79.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 17.3 m170 -68.08 -42.11 80.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 67.8 mt-30 -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.95 -43.02 72.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -60.31 -45.82 92.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 51' ' ' MET . 1.5 mm-40 -74.36 -47.1 36.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.552 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 4.9 mm-40 -68.31 -51.88 39.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.48 -41.66 90.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 15.4 ttt180 -68.49 -46.23 70.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 13.9 mtm -71.84 -51.67 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.9 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 1.05 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.6 ptm -71.05 -48.71 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 53' ' ' MET . . . -60.03 -36.85 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 51' ' ' MET . 1.7 mm-40 -65.75 -50.07 66.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.8 -6.42 11.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.64 ' C ' ' H ' ' A' ' 59' ' ' THR . . . 92.96 -12.8 69.18 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.05 HG13 ' O ' ' A' ' 53' ' ' MET . 2.9 m 48.74 8.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.64 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 35.74 24.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.643 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER 66.99 -54.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' THR . 13.3 mt-10 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' CG ' ' CG2' ' A' ' 59' ' ' THR . 35.7 m-20 -56.13 -35.15 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.817 ' CD2' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -70.04 -52.93 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.9 mtp180 -67.07 -27.34 67.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -50.55 37.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -79.03 -42.94 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 63' ' ' TYR . 10.7 mt -38.28 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' PHE . 36.1 mm-40 -51.7 -24.2 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.4 mt-30 -65.64 164.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.95 130.82 13.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -82.7 -152.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 79.52 1.91 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' MET . 1.8 m120 67.98 -67.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.355 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' CD2' ' A' ' 43' ' ' HIS . 22.8 ptm 176.71 172.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 7.2 t70 -110.69 176.03 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -140.87 19.68 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -100.26 12.68 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.94 22.99 5.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -141.95 132.54 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.985 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CZ ' ' O ' ' A' ' 35' ' ' PRO . 61.6 m-85 -115.57 160.41 20.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.971 ' O ' HG22 ' A' ' 84' ' ' VAL . 37.4 t -66.17 139.91 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.087 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.2 OUTLIER -61.7 -26.21 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' OE1' ' CE1' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -60.87 -25.89 67.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 81' ' ' SER . 9.7 m -61.66 -37.91 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.023 HG13 HD22 ' A' ' 24' ' ' LEU . 1.1 mp -66.76 -37.5 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 23.1 t -62.61 -45.01 94.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.77 ' O ' HG13 ' A' ' 91' ' ' VAL . 2.7 m-80 -63.41 -40.38 97.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.642 ' HA ' HG22 ' A' ' 91' ' ' VAL . . . -69.69 -35.0 74.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.982 ' HB3' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.98 -49.98 58.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -57.14 -41.6 79.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 87' ' ' ASN . 13.3 m -76.35 -21.24 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.766 ' CE2' HD23 ' A' ' 28' ' ' LEU . 2.6 m95 -82.78 -20.8 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.63 -46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.982 HD13 ' HB3' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -90.34 171.32 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 171' ' ' LYS . 2.8 pt-20 -128.95 156.37 43.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 170' ' ' VAL . 7.4 tp -124.97 141.89 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 169' ' ' VAL . 2.8 pp -147.14 158.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -64.96 135.45 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 167' ' ' ILE . 8.4 t80 -87.25 -43.23 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.651 ' HB2' HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -33.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 1.9 t -29.56 116.29 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.21 18.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 tp10 -75.46 -45.97 35.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.642 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 3.2 m-85 -63.76 -46.33 85.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 101' ' ' SER . 2.2 mt-30 -55.4 -46.99 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -65.26 -35.7 81.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.738 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 1.2 mt -69.26 -24.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.738 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 48.3 mtp180 131.6 61.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.642 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.88 118.33 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 113' ' ' ASN . 4.4 m-20 -107.23 153.98 40.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.737 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -75.03 -32.65 5.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.713 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -81.88 -26.72 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' ' O ' ' A' ' 112' ' ' ILE . 1.5 t-20 -1.52 83.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 113' ' ' ASN . 51.2 tt0 -33.1 100.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' CZ ' ' O ' ' A' ' 170' ' ' VAL . 0.6 OUTLIER 176.66 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 t -169.75 141.79 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.931 ' CE1' HG23 ' A' ' 169' ' ' VAL . 0.6 OUTLIER -133.59 158.56 42.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 82' ' ' ILE . 2.2 mt -126.32 140.32 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.517 ' SG ' HD22 ' A' ' 160' ' ' LEU . 8.7 t -125.71 143.36 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.571 ' HA ' ' HA ' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -129.78 117.72 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 121' ' ' TYR . 0.3 OUTLIER -114.15 107.99 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 36.5 88.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER 72.48 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.1 131.38 31.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.867 ' CH2' HD13 ' A' ' 85' ' ' ILE . 37.7 p-90 -129.5 165.17 22.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 125' ' ' TRP . 0.4 OUTLIER -128.86 160.68 31.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.52 121.36 44.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 117' ' ' PHE . 6.7 t -110.67 130.29 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.78 157.02 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -80.64 107.89 13.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -92.58 122.32 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.79 -80.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -152.0 24.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.74 ' OE1' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -140.7 158.82 43.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.681 ' CD1' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -84.69 115.55 22.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.668 ' CZ ' HD12 ' A' ' 131' ' ' LEU . 3.7 m-85 -116.29 142.8 46.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.871 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -95.48 146.85 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.67 125.89 18.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.721 ' HB3' HD23 ' A' ' 141' ' ' LEU . 3.4 t30 -179.23 -67.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 1.8 m 158.3 -22.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.721 HD23 ' HB3' ' A' ' 139' ' ' ASN . 0.8 OUTLIER -70.66 -17.92 62.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -92.56 -1.93 56.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER 46.44 23.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.581 ' O ' HD23 ' A' ' 142' ' ' LEU . . . 152.44 178.46 27.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.33 5.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.28 115.86 8.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.74 HD11 ' OE1' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -66.62 128.17 35.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.871 HD11 ' OD1' ' A' ' 137' ' ' ASN . 9.2 mt -108.55 113.61 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.52 142.64 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.5 ' HA ' ' CD1' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -55.11 -28.42 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 2.6 t -83.58 -24.96 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -86.99 -44.43 11.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 153' ' ' LEU . 0.2 OUTLIER -54.06 -47.73 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.92 -46.05 79.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.963 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.88 -35.58 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.828 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.3 OUTLIER -64.56 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.706 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.1 OUTLIER -62.09 -34.72 76.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.54 92.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.682 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -60.94 -49.24 78.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.894 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 4.0 mt-30 -61.16 -43.08 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -31.22 68.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 159' ' ' GLN . 1.4 mm-40 -67.58 -38.28 83.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.721 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.74 -91.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.721 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.6 OUTLIER 156.89 113.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -175.55 73.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.894 ' CG1' HD11 ' A' ' 160' ' ' LEU . 11.4 mt -135.13 132.12 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -120.9 147.46 45.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.931 HG23 ' CE1' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.82 HG13 HD12 ' A' ' 89' ' ' LEU . 2.8 t -86.39 125.65 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -126.3 140.82 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.409 ' HA3' ' CB ' ' A' ' 94' ' ' LEU . . . 123.36 -158.21 17.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.562 ' N ' ' HB3' ' A' ' 94' ' ' LEU . 4.9 t0 -89.07 118.43 28.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.762 HD22 ' HD2' ' A' ' 175' ' ' PRO . 2.1 tm? -107.97 129.81 23.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.762 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -84.04 155.42 22.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.75 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.311 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.96 -36.69 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' A' ' 131' ' ' LEU . . . -55.57 -39.53 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 176' ' ' ASP . 17.0 t70 -58.49 -35.49 72.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 185' ' ' MET . 86.0 mt-30 -74.13 -37.12 64.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.652 HD11 ' O ' ' A' ' 8' ' ' SER . 28.1 mt -63.91 -33.98 76.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 183' ' ' LEU . 0.2 OUTLIER -56.85 -48.35 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 183' ' ' LEU . 0.8 OUTLIER -110.56 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' GLN . 0.4 OUTLIER -42.65 120.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.598 HG22 ' N ' ' A' ' 187' ' ' ARG . 3.9 mp -99.61 -113.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.598 ' N ' HG22 ' A' ' 186' ' ' ILE . 0.3 OUTLIER 45.86 86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 54.8 t -42.28 -63.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -178.84 115.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.51 -61.39 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.36 106.33 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 182' ' ' LEU . 0.7 OUTLIER -72.0 -48.04 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.756 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.6 mtt -53.34 -16.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.01 -22.73 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.609 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.2 OUTLIER -155.85 51.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 6' ' ' MET . 9.7 mt -95.93 123.29 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 2.7 p90 168.06 -151.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.668 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 2.6 t60 -103.83 135.87 44.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.611 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.56 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.5 -86.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.56 ' O ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -40.12 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.668 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -105.49 159.42 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 16.8 tt0 -110.86 -40.26 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 17' ' ' SER . . . 37.82 -158.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 2.0 p 159.61 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' N ' ' A' ' 19' ' ' CYS . 2.7 pp -91.16 -59.31 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.673 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.6 p -116.06 174.01 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.828 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -55.43 -26.17 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' CB ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -48.2 -32.35 6.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -54.92 -50.04 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 27' ' ' LEU . 68.0 m -67.65 -39.65 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD11 HD21 ' A' ' 89' ' ' LEU . 13.8 tp -63.39 -39.5 94.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -63.22 -46.35 87.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 10' ' ' PHE . 49.0 t30 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -65.21 -47.5 76.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 92' ' ' TRP . 21.7 mt -74.63 -22.63 58.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 177' ' ' CYS . 9.0 tp60 64.94 118.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.646 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . 103.96 136.58 8.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -85.31 107.09 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 9.2 m-85 -144.32 -22.61 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.789 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.55 154.1 18.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -132.39 178.9 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.689 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . 18.3 Cg_endo -75.01 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.69 -36.27 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 34' ' ' SER . 12.3 mt-10 -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 80' ' ' PHE . 5.6 mt -57.56 -45.36 85.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -59.24 -45.97 89.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -33.91 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.99 -48.46 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.778 ' HA ' HD23 ' A' ' 45' ' ' LEU . . . -55.06 -47.87 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 39' ' ' SER . 5.1 m170 -64.7 -47.63 77.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 4.4 mt-30 -63.07 -33.16 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -66.51 -44.11 83.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 19.5 t0 -60.56 -47.2 87.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.617 ' CG ' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -74.35 -38.87 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 40.4 tt0 -72.39 -55.09 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -60.26 -37.14 79.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.8 ttm180 -64.76 -49.37 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.541 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 26.9 ptm -72.55 -42.02 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.2 ttt180 -62.25 -49.93 73.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.503 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 6.0 ptm -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.32 78.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.62 -32.6 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -64.9 -9.25 39.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' C ' ' N ' ' A' ' 59' ' ' THR . . . 88.71 50.71 3.26 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -40.05 -28.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 53.09 13.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 58' ' ' VAL . 1.5 t 78.65 -46.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.64 -47.42 70.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 58' ' ' VAL . 1.1 m-20 -62.43 -33.37 74.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.872 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -67.36 -53.3 30.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -65.52 -30.49 71.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -49.89 65.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -78.63 -42.16 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' PHE . 13.6 mt -37.59 -30.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' PHE . 17.3 mm-40 -50.51 -22.99 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 1.6 mt-30 -68.13 162.94 55.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -75.0 -160.62 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 70' ' ' PRO . 11.8 p -34.49 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA2' ' OG ' ' A' ' 81' ' ' SER . . . 98.34 37.95 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.772 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.2 OUTLIER -136.94 11.3 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.772 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER 54.13 149.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.538 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 38.0 t0 -111.18 162.94 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.49 32.5 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -114.9 4.84 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.68 36.46 2.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -152.11 137.53 17.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.983 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.755 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 84.7 m-85 -112.31 159.54 18.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 1.0 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.3 t -66.98 139.5 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.025 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -60.28 -27.53 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 6.8 mt-30 -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 81' ' ' SER . 10.5 m -60.84 -39.88 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.782 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.1 mp -63.31 -45.13 99.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 13.1 t -55.81 -45.49 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.948 ' O ' HG13 ' A' ' 91' ' ' VAL . 1.8 m-80 -62.01 -39.13 91.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.789 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.2 -39.09 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 ' CD1' ' A' ' 94' ' ' LEU . 3.3 mt -66.54 -47.51 72.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -57.01 -48.77 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.948 HG13 ' O ' ' A' ' 87' ' ' ASN . 3.4 m -71.05 -20.77 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.74 ' CE2' HD13 ' A' ' 28' ' ' LEU . 2.4 m95 -81.56 -20.75 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.34 -38.88 1.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.5 OUTLIER -90.29 170.37 10.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -125.51 150.88 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -124.73 125.93 44.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.705 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -142.51 159.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.688 HD21 ' ND2' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -64.34 136.52 57.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' OE1' ' A' ' 105' ' ' GLN . 7.8 t80 -88.78 -39.24 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.822 HD21 ' N ' ' A' ' 166' ' ' SER . 98.1 m-20 -29.17 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.3 OUTLIER -25.36 107.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.943 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' ARG . 18.2 Cg_endo -75.01 -14.97 20.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.4 tt0 -69.48 -47.19 64.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.67 ' C ' ' HB ' ' A' ' 109' ' ' ILE . 5.1 m-85 -69.1 -46.65 67.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 101' ' ' SER . 0.9 OUTLIER -55.23 -46.93 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' PRO . 3.3 mtt-85 -64.8 -41.51 95.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.742 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -63.26 -24.75 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 7.2 ptt180 129.65 63.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.67 ' HB ' ' C ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -126.89 119.6 53.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.638 ' CB ' ' HB3' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -106.88 154.92 39.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.3 Cg_endo -74.95 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.657 ' O ' ' CZ2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -81.61 -18.29 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.638 ' HB3' ' CB ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -65.06 -13.66 58.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.604 ' CD ' HG13 ' A' ' 169' ' ' VAL . 0.1 OUTLIER -91.64 -177.2 4.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -111.47 -49.06 3.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.654 ' O ' HG13 ' A' ' 170' ' ' VAL . 0.6 OUTLIER -124.58 118.71 27.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.701 ' CE2' ' HA ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -114.06 145.53 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 1.009 HD12 HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -120.71 141.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.49 ' SG ' HD22 ' A' ' 160' ' ' LEU . 11.0 t -127.5 142.94 51.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.322 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 166' ' ' SER . 0.2 OUTLIER -129.48 123.71 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.626 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -113.92 107.6 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 37.9 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 121' ' ' TYR . 2.3 tt0 -106.51 113.13 26.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.604 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.2 t-160 95.52 140.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.646 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.828 ' CZ2' ' CB ' ' A' ' 20' ' ' ALA . 59.1 p-90 -128.76 165.31 21.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.741 ' CD1' HD22 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -128.27 158.51 37.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.963 HG23 HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -115.43 126.85 54.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.629 ' N ' ' O ' ' A' ' 117' ' ' PHE . 12.4 t -112.51 127.25 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 21.0 ptt-85 -128.98 146.63 50.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 130' ' ' LYS . 20.9 pttp -70.95 120.99 17.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 9.3 tt -119.68 121.75 39.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.534 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 67.44 -108.07 2.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.27 14.62 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.43 154.57 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.657 ' CZ2' ' O ' ' A' ' 112' ' ' ILE . 9.3 m95 -76.94 137.2 38.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 131' ' ' LEU . 6.6 m-85 -128.22 133.03 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.699 ' OD1' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -91.49 150.94 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.443 ' C ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -148.06 134.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.51 ' HB3' HD23 ' A' ' 141' ' ' LEU . 31.1 t30 175.67 -69.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 2.0 t 161.21 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -70.38 -22.14 62.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 144' ' ' GLY . 0.0 OUTLIER -86.47 -2.62 58.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 47.32 23.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.652 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 151.07 176.8 24.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.44 ' CB ' HD21 ' A' ' 137' ' ' ASN . 0.2 OUTLIER -48.3 157.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.12 123.71 46.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.699 HD11 ' OD1' ' A' ' 137' ' ' ASN . 15.7 mt -114.62 119.73 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.33 148.28 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -54.95 -34.77 63.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 3.4 t -83.81 -17.18 41.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.413 ' CD1' HD12 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -86.89 -42.6 13.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 157' ' ' LEU . 1.4 tm? -54.45 -48.36 71.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.519 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -65.64 -44.65 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.93 -36.46 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.814 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -65.69 -50.07 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 111' ' ' PRO . 4.3 mt -59.59 -34.74 73.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.39 87.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.617 ' NE2' HD21 ' A' ' 155' ' ' LEU . 0.7 OUTLIER -60.73 -49.85 75.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.895 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.5 OUTLIER -63.37 -38.76 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 5.7 mt-30 -60.92 -40.46 93.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -70.97 -33.68 70.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 159' ' ' GLN . 0.3 OUTLIER -64.69 -42.26 95.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.71 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -168.71 -87.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.71 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 156.23 121.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.759 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.822 ' N ' HD21 ' A' ' 100' ' ' ASN . 0.1 OUTLIER 179.65 72.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.895 ' CG1' HD11 ' A' ' 160' ' ' LEU . 2.7 mt -135.5 128.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.025 ' CE2' HG21 ' A' ' 82' ' ' ILE . 2.3 m-85 -117.9 130.83 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.604 HG13 ' CD ' ' A' ' 114' ' ' GLU . 1.2 t -108.53 128.78 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.938 HG23 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -98.62 116.93 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.499 ' HB3' ' NH2' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -114.43 143.82 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 94' ' ' LEU . . . 136.37 -144.46 16.18 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 1.013 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.8 m-20 -96.66 118.8 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.72 HD21 HD21 ' A' ' 27' ' ' LEU . 1.6 tm? -102.87 126.3 33.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.584 ' O ' HD13 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.05 162.16 37.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.479 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -98.09 135.54 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 29' ' ' GLN . 14.9 p -109.2 -177.29 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.87 -42.77 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 182' ' ' LEU . . . -56.23 -38.21 70.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 176' ' ' ASP . 1.0 OUTLIER -57.77 -34.56 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.497 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.7 OUTLIER -75.69 -40.75 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 179' ' ' ALA . 8.2 mt -62.69 -27.08 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 183' ' ' LEU . 0.4 OUTLIER -56.46 -43.0 79.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.508 ' N ' HD13 ' A' ' 183' ' ' LEU . 4.0 mm-40 -147.1 -68.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.694 ' CE ' HG21 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -40.36 167.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.48 -91.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER -71.85 -55.49 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.694 HG21 ' CE ' ' A' ' 185' ' ' MET . 12.2 p 34.27 55.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.38 110.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.18 -49.15 5.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.78 105.76 0.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.55 ' OG ' HD11 ' A' ' 9' ' ' ILE . 54.0 p -59.01 -33.11 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.803 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -52.29 -11.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 5' ' ' SER . 14.5 pt-20 -53.08 -47.34 68.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.641 ' O ' HD11 ' A' ' 182' ' ' LEU . 0.6 OUTLIER -136.41 49.98 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.803 HD12 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -86.19 123.78 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER 159.46 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.679 ' HE2' ' C ' ' A' ' 13' ' ' LYS . 3.0 t60 -91.37 135.75 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.91 -99.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.679 ' C ' ' HE2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -92.06 92.84 8.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.698 ' NE2' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -90.36 144.74 25.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.698 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -84.26 -38.69 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . 167.13 154.23 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 m -112.45 135.12 53.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 19' ' ' CYS . 3.4 pp -163.1 -49.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.4 p -115.34 174.71 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' CB ' ' CZ2' ' A' ' 125' ' ' TRP . . . -50.26 -24.97 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.737 ' OE1' HD21 ' A' ' 38' ' ' LEU . 6.2 tp60 -47.12 -32.49 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -57.09 -50.59 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.595 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -64.83 -39.25 93.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.875 HD11 HD21 ' A' ' 89' ' ' LEU . 7.4 tp -63.26 -42.44 99.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 23.6 m120 -59.43 -45.64 90.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 11' ' ' HIS . 0.5 OUTLIER -71.43 -26.41 62.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.664 ' CD2' HD21 ' A' ' 174' ' ' LEU . 0.0 OUTLIER -75.14 -47.21 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 92' ' ' TRP . 58.0 mt -75.3 -1.46 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 78.75 -46.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.652 ' HA3' ' CE2' ' A' ' 32' ' ' TYR . . . -119.36 132.42 9.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.49 -108.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 74.7 42.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.808 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -159.11 155.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -130.86 179.36 1.37 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -33.18 4.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.32 -46.23 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.2 mt-10 -60.99 -45.6 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.737 HD21 ' OE1' ' A' ' 21' ' ' GLN . 2.9 tp -57.03 -45.55 83.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -62.79 -37.8 88.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -75.1 -31.84 61.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.795 HG22 ' CG2' ' A' ' 84' ' ' VAL . 1.3 tt -71.71 -41.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.82 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -65.73 -47.46 75.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 39' ' ' SER . 15.2 m170 -60.88 -47.17 87.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.8 mt-30 -61.79 -34.05 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -64.4 -45.7 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -59.95 -44.7 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' O ' ' HE2' ' A' ' 51' ' ' MET . 49.9 mt-10 -73.73 -40.84 63.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 51' ' ' MET . 37.0 mt-10 -69.54 -55.55 9.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.683 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.28 -38.0 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.1 ttm180 -61.31 -49.81 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 23.4 ptp -73.3 -46.49 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' N ' ' HG3' ' A' ' 51' ' ' MET . 4.6 tpt180 -58.54 -47.9 82.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.609 ' O ' ' N ' ' A' ' 58' ' ' VAL . 4.9 ptm -72.19 -42.61 65.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 50' ' ' ARG . . . -63.3 -48.3 78.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' GLY . 1.2 mm-40 -80.54 -56.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 52' ' ' ARG . . . -40.4 -23.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . 103.42 58.0 0.74 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 63' ' ' TYR . 2.3 p -43.61 -26.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 58' ' ' VAL . 9.0 t 52.53 15.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 2.9 t 76.27 -51.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -53.51 -47.82 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.5 m-20 -58.72 -33.47 70.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.32 -34.98 79.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -50.68 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -79.27 -44.0 22.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 63' ' ' TYR . 12.0 mt -35.55 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 66' ' ' PHE . 21.1 mm-40 -47.77 -23.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -72.56 165.52 50.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.338 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 69' ' ' GLN . 18.4 Cg_endo -74.97 130.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -153.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' MET . . . 77.01 0.18 68.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 69.98 -60.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.604 ' HE1' ' CE2' ' A' ' 80' ' ' PHE . 24.7 ptm 177.18 -176.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.7 -176.32 2.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -153.67 23.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t -108.93 3.96 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.82 35.62 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -164.35 135.5 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' ' HE1' ' A' ' 74' ' ' MET . 61.5 m-85 -111.13 159.74 17.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 t -66.76 143.23 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.077 HG21 ' CE2' ' A' ' 168' ' ' PHE . 0.3 OUTLIER -57.45 -27.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.571 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 1.6 mt-30 -63.17 -24.61 67.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.48 -43.77 94.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.824 HD13 ' CH2' ' A' ' 125' ' ' TRP . 1.2 mp -60.54 -40.99 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . 22.9 t -59.51 -44.18 93.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.914 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -60.98 -40.85 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -72.01 -34.65 69.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.875 HD21 HD11 ' A' ' 24' ' ' LEU . 1.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -56.98 -44.65 82.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 87' ' ' ASN . 4.7 m -73.59 -21.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.9 m95 -81.77 -20.73 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.92 -39.59 1.84 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 ' O ' ' A' ' 173' ' ' ASP . 0.7 OUTLIER -90.41 169.09 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 171' ' ' LYS . 5.1 pt-20 -124.83 152.87 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -124.76 125.14 43.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.72 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pp -134.29 158.36 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.737 HD23 ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -65.46 136.52 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t80 -85.99 -44.26 12.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.737 ' HB2' HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -26.79 -56.96 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.658 ' C ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -11.56 107.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.004 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HA ' ' HG3' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -75.0 -15.77 20.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.4 tt0 -66.73 -47.74 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.659 ' O ' HD13 ' A' ' 109' ' ' ILE . 10.2 m-85 -69.87 -44.56 69.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -55.56 -46.72 77.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -66.47 -40.94 89.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' O ' ' CB ' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -62.42 -25.14 67.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.745 ' CB ' ' O ' ' A' ' 107' ' ' LEU . 20.6 mtt180 130.14 62.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -126.88 120.71 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 154.75 39.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.694 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -75.01 -35.93 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.528 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -81.85 -18.84 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.61 61.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 117' ' ' PHE . 2.6 pm0 -162.22 -178.53 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.585 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -117.0 -14.86 10.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 115' ' ' ARG . 11.4 t -167.53 121.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.41 158.65 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' ILE . 1.2 mt -125.58 135.98 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.97 143.38 51.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 166' ' ' SER . 0.7 OUTLIER -129.73 126.05 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.6 OUTLIER 38.12 -90.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 124' ' ' HIS . 16.6 tt0 -107.06 111.8 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 123' ' ' GLU . 7.0 t-160 97.19 139.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.824 ' CH2' HD13 ' A' ' 85' ' ' ILE . 40.7 p-90 -128.81 165.06 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.761 ' CZ ' HD22 ' A' ' 141' ' ' LEU . 2.3 m-85 -129.02 161.35 30.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.4 HG23 HD13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -113.43 126.65 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 117' ' ' PHE . 57.1 t -105.28 121.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 130' ' ' LYS . 55.8 ttt-85 -118.41 152.96 34.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.448 ' C ' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -94.39 126.06 39.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.786 ' CD1' ' HB1' ' A' ' 179' ' ' ALA . 3.4 mm? -110.19 121.63 45.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 183' ' ' LEU . . . 65.23 -84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 30.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' HB3' HD21 ' A' ' 147' ' ' LEU . 15.2 mm-40 -140.68 160.38 40.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.645 ' CH2' ' CA ' ' A' ' 150' ' ' ASP . 0.0 OUTLIER -98.32 130.65 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 131' ' ' LEU . 4.2 m-85 -131.56 143.46 50.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 138' ' ' LEU . 0.1 OUTLIER -95.35 133.91 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.539 ' N ' HD22 ' A' ' 137' ' ' ASN . 0.4 OUTLIER -139.5 138.53 36.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.655 ' O ' ' CB ' ' A' ' 140' ' ' SER . 12.4 t-20 174.43 -46.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 139' ' ' ASN . 3.8 m 144.9 -19.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.761 HD22 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -68.64 -29.48 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.729 ' H ' HD22 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -97.94 -9.25 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 143' ' ' THR . 0.6 OUTLIER 45.67 23.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.452 ' H ' HD23 ' A' ' 142' ' ' LEU . . . 176.1 154.79 11.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 65.06 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -54.23 144.54 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -88.59 125.13 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 137' ' ' ASN . 31.2 mt -104.84 146.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.645 ' CA ' ' CH2' ' A' ' 135' ' ' TRP . 0.0 OUTLIER -54.91 -37.66 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 155' ' ' LEU . 6.0 t -83.52 -3.37 57.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -104.23 -48.9 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 112' ' ' ILE . 1.4 tm? -54.0 -47.94 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.54 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . . . -66.72 -44.44 81.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.87 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.909 ' N ' HD13 ' A' ' 155' ' ' LEU . 0.2 OUTLIER -62.24 -52.07 65.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -60.59 -34.46 74.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.33 88.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.597 ' NE2' HD21 ' A' ' 155' ' ' LEU . 1.0 OUTLIER -65.52 -48.52 72.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.942 HD11 ' CG1' ' A' ' 167' ' ' ILE . 0.8 OUTLIER -65.28 -34.11 77.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 100' ' ' ASN . 9.5 mt-30 -64.71 -46.82 80.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -71.16 -27.05 63.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -74.3 -32.44 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 165' ' ' TYR . . . -170.95 -96.67 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.739 ' CD1' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 157.07 115.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 120' ' ' ASN . 0.1 OUTLIER -177.93 73.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.942 ' CG1' HD11 ' A' ' 160' ' ' LEU . 10.1 mt -134.83 130.1 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 1.077 ' CE2' HG21 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -120.78 143.02 49.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.8 p -112.26 128.89 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 89' ' ' LEU . 5.5 t -86.88 110.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -114.88 138.33 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . 131.62 -157.42 22.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 1.023 ' O ' HD22 ' A' ' 94' ' ' LEU . 20.0 t0 -85.36 120.04 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 27' ' ' LEU . 1.7 tm? -110.97 125.57 30.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.582 ' HD2' HD22 ' A' ' 174' ' ' LEU . 18.2 Cg_endo -75.04 159.34 41.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ASP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 180' ' ' ASP . 0.8 OUTLIER -97.12 153.18 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 p -124.84 -173.01 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 108.332 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 181' ' ' GLN . 1.2 mm-40 -53.31 -38.03 62.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.786 ' HB1' ' CD1' ' A' ' 131' ' ' LEU . . . -55.72 -33.54 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 176' ' ' ASP . 31.9 t70 -58.28 -40.57 82.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.93 -36.56 64.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 8' ' ' SER . 45.2 mt -64.75 -27.61 69.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 184' ' ' GLN . 0.7 OUTLIER -56.87 -49.6 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.844 ' HB2' HD13 ' A' ' 183' ' ' LEU . 1.7 mt-30 -173.32 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.454 ' O ' ' O ' ' A' ' 186' ' ' ILE . 0.0 OUTLIER -76.0 54.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.454 ' O ' ' O ' ' A' ' 185' ' ' MET . 0.0 OUTLIER -54.05 -107.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 165.47 -169.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 188' ' ' VAL . 2.8 p -139.37 59.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.56 110.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.97 . . . . . . . . 0 0 . 1 stop_ save_